![Chemical structure of Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-, CAS 305-03-3](https://api.angenesci.com/structure/1929/305-03-3.png)
无数据
无数据
无数据
| CAS Number | 305-03-3 |
| Catalog Number | AG0030DZ(AGN-PC-0JK6BQ) |
| Chemical Name | Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]- |
| EC Number | 206-162-0 |
| IUPAC Name | 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid |
| InChI | InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) |
| InChI Key | JCKYGMPEJWAADB-UHFFFAOYSA-N |
| MDL Number | MFCD00021783 |
| Molecular Formula | C14H19Cl2NO2 |
| Molecular Weight | 304.2122 |
| SMILES | ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl |
| UN Number | 2811 |
| UNII | 18D0SL7309 |
| Synonyms | 4-(Bis(2-chloroethyl)amino)benzenebutanoic Acid,
Amboclorin,
CB 1348,
CB-1348,
CB1348,
Chlorambucil,
Chloraminophene,
Chlorbutin,
Leukeran,
Lympholysin,
N,N-Di-(2-chloroethyl)-p-aminophenylbutyric Acid,
NSC 3088,
NSC-3088,
NSC3088,
chlorambucil,
305-03-3,
Chloroambucil,
Ambochlorin,
Leukeran,
Chloraminophen,
Chlorbutin,
Chloraminophene,
Chlorobutine,
Amboclorin,
Chlorbutine,
Chlorobutin,
Linfolizin,
Linfolysin,
Ecloril,
Elcoril,
Phenylbutyric acid nitrogen mustard,
Lympholysin,
Chlocambucil,
Leukersan,
Leukoran,
Chloorambucol,
Chlorbutinum,
Elcorin,
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid,
Cb l348,
Clorambucile [DCIT],
CB 1348,
Phenylbuttersaeure-lost,
Leukeran tablets,
NSC 3088,
NSC-3088,
Rcra waste number U035,
Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-,
NCI-C03485,
Chlorambucilum [INN-Latin],
Clorambucilo [INN-Spanish],
4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid,
N,N-Di-2-chloroethyl-gamma-p-aminophenylbutyric acid,
4-(p-Bis(beta-chloroethyl)aminophenyl)butyric acid,
CCRIS 126,
4-(Bis(2-chloroethyl)amino)benzenebutanoic acid,
CB-1348,
p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid,
UNII-18D0SL7309,
CHEBI:28830,
Phenylbuttersaeure-lost [German],
HSDB 3026,
NSC3088,
4-[Bis(2-chloroethyl)aminophenyl]butyric acid,
EINECS 206-162-0,
4-[Bis(2-chloroethyl)amino]benzenebutyric acid,
4-[Bis(2-chloroethyl)amino]benzenebutanoic acid,
CHEMBL515,
RCRA waste no. U035,
gamma-[p-Di(2-chloroethyl)aminophenyl]butyric acid,
4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid,
Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-,
BRN 0999011,
AI3-26083,
MLS000028443,
4-(Bis(2-chloroethyl)amino)phenylbutyric acid,
JCKYGMPEJWAADB-UHFFFAOYSA-N,
p-(N,N-Di-2-chlorethylaminophenyl)butyric acid,
para-(Di(2-chloroethyl)aminophenyl)butyric acid,
gamma-(p-bis(2-chloroethyl)aminophenyl)butyricacid,
4-(p-(Bis(2-chloroethyl)amino)phenyl)butyric acid,
Butanoic acid, 4-(bis(2-chloroethyl)amino) benzene,
gamma-(p-Bis(2-chloroethyl)aminophenyl)butyric acid,
gamma-(p-Di(2-chloroethyl)aminophenyl)butyric acid,
Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-,
MFCD00021783,
p-N,N-Di-(beta-chloroethyl)aminophenyl butyric acid,
Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenyl),
para-N,N-Di(beta-chloroethyl)aminophenyl butyric acid,
18D0SL7309,
Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna,
N,N-Di-2-chloroethyl-gamma-para-aminophenyl butyric acid,
NCGC00015199-08,
Chlorambucilum,
Clorambucile,
Clorambucilo,
CAS-305-03-3,
SMR000058372,
DSSTox_CID_263,
Kyselina 4-(N,N-bis-(2-chlorethyl)-p-aminofenyl)maselna [Czech],
4-[Bis(2-chloroethyl)amino]phenylbutyric acid,
chlorambucil,4-bis(2-chloroethyl)amino]benzenebutanoic acid, n,n-di-2-chloroethyl-,
DSSTox_RID_75472,
DSSTox_GSID_20263,
4-(4-(Bis(2-chloroethyl)amino)phenyl)butanoic acid,
4-(4-[Bis(2-chloroethyl)amino]phenyl)butyric acid,
W-106940,
.gamma.-[p-Di(2-chloroethyl)aminophenyl]butyric acid,
4-(p-(N,N-Di-2-chloroethyl)aminophenyl)butyric acid,
Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-,
p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid,
4-(p-[bis-(2-Chloroethyl)-amino]-phenyl)-butyric acid,
N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid,
Leuk ersan,
Chlorambucil [INN:BAN],
SR-01000000062,
LEUKERAN (TN),
4-[4-[Bis(2-chloroethyl)amino]phenyl]butyric Acid,
.gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid,
.gamma.-[p-bis(2-chloroethyl)aminophenyl]butyric acid,
4-(p-Bis(.beta.-chloroethyl)aminophenyl)butyric acid,
4-[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid,
Butyric acid, 4-(p-[bis(2-chloroethyl)amino]phenyl)-,
Chlorambucil [USP:INN:BAN],
Chlorambucil,(S),
phenyl)butanoic acid,
Opera_ID_51,
PubChem21331,
Spectrum_000118,
AC1L1EAB,
Prestwick0_001079,
Prestwick1_001079,
Prestwick2_001079,
Prestwick3_001079,
Spectrum2_000065,
Spectrum3_000336,
Spectrum4_000273,
Spectrum5_000677,
Lopac-C-0253,
Epitope ID:139977,
AC1Q75DO,
SCHEMBL4308,
Lopac0_000227,
WLN: QV3R DN2G2G,
BSPBio_001098,
BSPBio_001971,
KBioGR_000766,
KBioSS_000558,
4-14-00-01715 (Beilstein Handbook Reference),
MLS001076130,
DivK1c_000688,
SPECTRUM1500171,
Chlorambucil (JAN/USP/INN),
SPBio_000249,
SPBio_002999,
BPBio1_001208,
GTPL7143,
ZINC1115,
DTXSID7020263,
CTK8E8346,
HMS502C10,
KBio1_000688,
KBio2_000558,
KBio2_003126,
KBio2_005694,
KBio3_001191,
NINDS_000688,
HMS1571G20,
HMS1920M15,
HMS2090M19,
HMS2091A22,
HMS2098G20,
HMS2235A04,
HMS3259I10,
HMS3372O04,
HMS3652P08,
Pharmakon1600-01500171,
4-(4-(bis(2-chloroethyl)amino),
BCP28394,
Tox21_110096,
Tox21_201390,
Tox21_302996,
BDBM50003677,
CCG-39872,
GP0879,
NSC756674,
s4288,
AKOS024319346,
Tox21_110096_1,
API0003150,
Chlorambucil, purum, >=98.0% (T),
CS-3118,
DB00291,
GS-6200,
LP00227,
LS-1158,
MCULE-2575006904,
NC00555,
NSC-756674,
IDI1_000688,
NCGC00015199-01,
NCGC00015199-02,
NCGC00015199-03,
NCGC00015199-04,
NCGC00015199-05,
NCGC00015199-06,
NCGC00015199-07,
NCGC00015199-09,
NCGC00015199-10,
NCGC00015199-11,
NCGC00015199-12,
NCGC00015199-13,
NCGC00015199-14,
NCGC00015199-15,
NCGC00015199-16,
NCGC00015199-17,
NCGC00015199-19,
NCGC00015199-20,
NCGC00023250-00,
NCGC00023250-03,
NCGC00023250-04,
NCGC00023250-05,
NCGC00023250-06,
NCGC00023250-07,
NCGC00023250-08,
NCGC00023250-09,
NCGC00023250-10,
NCGC00256464-01,
NCGC00258941-01,
AK327627,
AN-16019,
BC208809,
BP-24028,
CC-25645,
CPD000058372,
HY-13593,
NCI60_002639,
SAM002564202,
SC-16653,
SC-54759,
SBI-0050215.P004,
AB0093202,
TL8002353,
TR-013105,
WR-139013,
AB00051938,
EU-0100227,
FT-0083565,
FT-0617365,
ST50410766,
SW197258-4,
KS-00001815,
A14252,
A18607,
C 0253,
C06900,
D00266,
4-(p-bis(2-chloroethyl)aminophenyl)butyric acid,
AB00051938-14,
AB00051938-15,
AB00051938_16,
305C033,
C-18948,
4[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid,
Butanoic acid, 4-(bis(2-chloroethyl)amino)benzene-,
SR-01000000062-2,
SR-01000000062-4,
SR-01000000062-7,
.gamma.-(p-bis(2-chloroethyl)aminophenyl)butyricacid,
BRD-K29458283-001-04-2,
BRD-K29458283-001-05-9,
BRD-K29458283-001-17-4,
4-(4-[Bis(2-chloroethyl)amino]phenyl)butanoic acid #,
4-(p-N,N-Di-(beta-chloroethyl)aminophenyl)buty ric acid,
4-(p-N,N-Di-(beta-chloroethyl)aminophenyl)butyric acid,
Z1558572529,
4-[4-(N,N-bis(2-chloroethyl)-amino]phenyl)butanoic acid,
ETHANAMINE,2-[[4-(1-METHYLETHOXY)PHENYL]SULFONYL]-,
N,N-Di-(2-chloroethyl)-gamma-(p-aminophenyl)butyric acid,
Chlorambucil, European Pharmacopoeia (EP) Reference Standard,
Chlorambucil, United States Pharmacopeia (USP) Reference Standard,
Chlorambucil for system suitability, European Pharmacopoeia (EP) Reference Standard,
pepstatin,
Chlorambucil (USP/INN),
Chlorambucil [BAN:INN],
C14H19Cl2NO2,
D0V8QT,
Wellcome Brand of Chlorambucil,
Phenylbuttersaeure-lost[German],
2-chloro-5-fluoronicotinic acid,
alkylating agent: crosslinks DNA,
Chlorambucil, 98% - 1G 1g,
CID2708,
CB1348,
C14-H19-Cl2-N-O2,
Glaxo Wellcome Brand of Chlorambucil,
GlaxoSmithKline Brand of Chlorambucil,
NA2811,
UN2811,
CS-O-30552,
4-(bis(2-chloroethyl)aminophenyl)butyricacid,
B3716,
C0253,
C2939,
N,N-Di-(2-chloroethyl)-p-aminophenylbutyric Acid,
p-Di-2-Chloroethylamine Phenyl Butyric Acid,
D002699,
4-(2-(bis(2-chloroethyl)amino)phenyl)butanoic acid,
Cbl,
38186-88-8,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.211g/mol |
| Monoisotopic Mass | 303.079g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H301-H315-H319-H335-H350 |
| Packing Group | Ⅲ |
| Precautionary statements | P201-P202-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P308+P313-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

