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| CAS Number | 59-46-1 |
| Catalog Number | AG00IAHD(AGN-PC-0JK722) |
| Chemical Name | Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester |
| EC Number | 200-426-9 |
| IUPAC Name | 2-(diethylamino)ethyl 4-aminobenzoate |
| InChI | InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3 |
| InChI Key | MFDFERRIHVXMIY-UHFFFAOYSA-N |
| MDL Number | MFCD00007893 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| NSC Number | 169497 |
| RTECS Number | DG2100000 |
| SMILES | C1=C(C(OCCN(CC)CC)=O)C=CC(=C1)N |
| UNII | 4Z8Y51M438 |
| Synonyms | Anuject,
Geriocaine,
Gerokit,
Hewedolor-Procain,
Hydrochloride, Procaine,
Lophakomp-Procain N,
Novocain,
Novocaine,
Pröcaine chlorhydrate Lavoisier,
Procain Braun,
Procain curasan,
Procain Jenapharm,
Procain Rödler,
Procain Steigerwald,
procain-loges,
Procaina Serra,
Procaine,
Procaine Hydrochloride,
Röwo Procain,
procaine,
59-46-1,
Vitamin H3,
Novocaine,
Spinocaine,
Duracaine,
Procain,
Nissocaine,
Novocain,
2-(Diethylamino)ethyl 4-aminobenzoate,
Procaina,
Procainum,
Procaine, base,
2-Diethylaminoethyl p-aminobenzoate,
Diethylaminoethyl p-aminobenzoate,
Gerovital,
Norocaine,
Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester,
2-Diethylaminoethyl 4-aminobenzoate,
p-Aminobenzoyldiethylaminoethanol,
Factor H3,
p-Aminobenzoic acid 2-diethylaminoethyl ester,
Stoff H3,
Jenacain,
Jenacaine,
Procaine [INN:BAN],
Procainum [INN-Latin],
Procaina [INN-Spanish],
Gerovital H-3,
Allocaine,
Scurocaine,
4-Aminobenzoic acid diethylaminoethyl ester,
Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester,
beta-Diethylaminoethyl 4-aminobenzoate,
2-(Diethylamino)ethyl-4-aminobenzoate,
NSC 169497,
CHEBI:8430,
beta-(Diethylamino)ethyl 4-aminobenzoate,
beta-(Diethylamino)ethyl p-aminobenzoate,
UNII-4Z8Y51M438,
p-Aminobenzyoyldiethylaminoethanol,
HSDB 3388,
4-Aminobenzoic acid 2-diethylaminoethyl ester,
4-Aminobenzoesaeure-beta-diethylaminoethylester,
EINECS 200-426-9,
2-Diethylaminoethylester kyseliny p-aminobenzoove,
2-(Diethylamino)ethyl p-aminobenzoate,
BRN 0913480,
2-Diethylaminoethylester kyseliny p-aminobenzoove [Czech],
4-Amino-benzoic acid 2-diethylamino-ethyl ester,
4-aminobenzoic acid 2-(diethylamino)ethyl ester,
MFDFERRIHVXMIY-UHFFFAOYSA-N,
SP-01,
4-Aminobenzoic acid 2-(diethylamino) ethyl ester,
NSC169497,
4Z8Y51M438,
AK-50386,
Anuject,
Gerokit,
.beta.-(Diethylamino)ethyl p-aminobenzoate,
Anticort,
MLS001304095,
Anticort (TM),
Procaine (INN),
CAS-51-05-8,
NCGC00015864-02,
SMR000718771,
Solution of novocain (TN),
SP01A,
novocaine;,
SP-01A,
SP01,
2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride,
aminocaine;anadolor,
Neocaine (Salt/Mix),
Novocain (Salt/Mix),
Allocaine (Salt/Mix),
Novocaine (Salt/Mix),
Sevicaine (Salt/Mix),
Spectrum_000838,
Aminocaine (Salt/Mix),
Scurocaine (Salt/Mix),
Neotonocaine (Salt/Mix),
Prestwick0_000041,
Prestwick1_000041,
Prestwick2_000041,
Prestwick3_000041,
Spectrum2_001296,
Spectrum3_000556,
Spectrum4_000488,
Spectrum5_001186,
Lopac-P-9879,
CHEMBL569,
Epitope ID:115010,
Gerovital H3 (Salt/Mix),
AC1L1J8C,
AC1Q2ZE2,
cid_5795,
SCHEMBL3524,
SAMPL3, G2,
Lopac0_000966,
BSPBio_000161,
BSPBio_002231,
KBioGR_000975,
KBioSS_001318,
4-14-00-01138 (Beilstein Handbook Reference),
ARONIS24492,
DivK1c_000120,
SPBio_001331,
SPBio_002082,
WLN: ZR DVO2N2&2,
BPBio1_000179,
GTPL4291,
DTXSID7045021,
BDBM64452,
CTK6E8435,
KBio1_000120,
KBio2_001318,
KBio2_003886,
KBio2_006454,
KBio3_001731,
BBC/658,
NINDS_000120,
EBD36851,
HY-B0546,
KS-00000GZ6,
ZINC1530757,
ZX-AS004859,
ZX-AT008592,
BBL005106,
HTS001398,
MFCD00007893,
s4668,
SBB066226,
STK177303,
AKOS000115407,
2-(diethylamino)ethyl 4-azanylbenzoate,
API0007241,
CCG-205046,
CS-2647,
DB00721,
DS-1216,
MCULE-8861116126,
NSC-169497,
IDI1_000120,
.beta.-Diethylaminoethyl 4-aminobenzoate,
NCGC00015864-01,
NCGC00015864-03,
NCGC00015864-04,
NCGC00162298-01,
AJ-26691,
AN-41787,
BR-50386,
LS-35778,
SC-54112,
ST024758,
SBI-0050939.P004,
.beta.-(Diethylamino)ethyl 4-aminobenzoate,
AB0031355,
AX8149095,
TR-018212,
TR-020622,
2-(N,N-diethylamino)ethyl 4-amino-benzoate,
AB00053531,
FT-0654843,
P1961,
ST24031565,
X4422,
EN300-33930,
4-amino-benzoic acid2-diethylamino-ethyl ester,
A16131,
A19427,
C07375,
D08422,
M-7441,
4-Amino-benzoic acid-beta-diethylaminoethylester,
AB00053531-09,
AB00053531_11,
AB00053531_12,
p-Aminobenzoic acid, 2-(diethylamino)ethyl ester,
A832329,
AE-641/00560024,
Benzoic acid,4-amino-,2-(diethylamino)ethyl ester,
2-(diethylamino)ethyl 4-azanylbenzoate;hydrochloride,
I06-1439,
BRD-K24616672-003-05-2,
BRD-K24616672-003-10-2,
4-aminobenzoic acid 2-(diethylamino)ethyl ester;hydrochloride,
BENZOIC ACID,4-AMINO,2-DIETHYLAMINOETHYL ESTER PROCAIN BASE,
InChI=1/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H,
geriocaine,
Procaine Hcl,
isocain,
Herocaine,
Irocaine,
Isocaine,
Neocaine,
Nesacaine,
procain-loges,
Procain curasan,
PROCAINE HYDROCHLORIDE,
procain-,
Procain Rodler,
Procaina Serra,
Procain Braun,
Rowo Procain,
Pfizerpen-AS,
Hewedolor-Procain,
Procain Jenapharm,
Chloroprocaine Hcl,
Duracillin A.S.,
Procain Steigerwald,
Novocain (TN),
Lophakomp-Procain N,
Solution of novocain,
Hydrochloride, Procaine,
D0TZ1G,
C13H20N2O2,
PENICILLIN G PROCAINE,
Procaine chlorhydrate Lavoisier,
CID4914,
C13-H20-N2-O2,
BENZOIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER,
D011343,
51-05-8,
BENZOIC ACID,4-AMINO,2-DIETHYLAMINOETHYL ESTER PROCAIN BASE,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H332-H335 |
| Packing Group | |
| Precautionary statements | P261-P280-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

