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| CAS Number | 141-94-6 |
| Catalog Number | AG003QX6(AGN-PC-0JK6LQ) |
| Chemical Name | Hexetidine |
| EC Number | 205-513-5 |
| IUPAC Name | 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine |
| InChI | InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3 |
| InChI Key | DTOUUUZOYKYHEP-UHFFFAOYSA-N |
| MDL Number | MFCD00010428 |
| Molecular Formula | C21H45N3 |
| Molecular Weight | 339.6021 |
| SMILES | NC1(C)CN(CC(CC)CCCC)CN(CC(CC)CCCC)C1 |
| UNII | 852A84Y8LS |
| Synonyms | Bactidol,
Collu Hextril,
Collu-Hextril,
Doreperol,
Duranil,
Elsix,
Gurgellösung N, Stas,
Hexetidine,
Hexigel,
Hexoral,
Hextril,
Oraldene,
Oraldine,
Oralspray,
stas Gurgellösung N,
Steri sol,
Steri-sol,
Vagi Hex,
Vagi-Hex,
VagiHex,
hexetidine,
141-94-6,
Oraldene,
Hexoral,
Glypesin,
Hextril,
Elsix,
Collu hextril,
Sterilate,
Sterisil,
Triocil,
Triscol,
Duranil Aerosol,
Hexetidinum,
Collu-Hextril,
Steri/Sol,
Drossadin,
Hexetidina,
Oraseptic,
Paradenyl,
Steri/Sol (VAN),
Caswell No. 033BB,
Hexetidinum [INN-Latin],
Hexetidina [INN-Spanish],
NSC 17764,
5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine,
UNII-852A84Y8LS,
5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-,
C21H45N3,
EINECS 205-513-5,
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine,
AI3-15546,
MLS002207232,
5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine,
P 252,
DTOUUUZOYKYHEP-UHFFFAOYSA-N,
852A84Y8LS,
Hexetidine, mixture of stereoisomers,
MFCD00010428,
NSC-17764,
1,3-Bis(2-ethylhexyl)-5-amino-hexahydro-5-methylpyrimidin,
DSSTox_CID_25297,
DSSTox_RID_80788,
DSSTox_GSID_45297,
1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidiamine,
5-Amino-1,3-bis(2-ethylhexyl)-5-methyl-hexhydropyrimidine,
Hexigel,
Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl-,
Hexetidine [BAN],
Hexetidine [INN:BAN],
SR-01000872662,
Hexopyrimidine,
Esetidina,
Hexetidin,
Hexocil,
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazaperhydroine-5-ylamine,
HSDB 7828,
NCGC00016404-01,
CAS-141-94-6,
Hexetidine (INN),
Prestwick_800,
Spectrum_000236,
Prestwick0_000551,
Prestwick1_000551,
Prestwick2_000551,
Prestwick3_000551,
Spectrum2_000953,
Spectrum3_000271,
Spectrum4_000395,
Spectrum5_001435,
AC1L1GB5,
AC1Q2V9B,
AC1Q4V4W,
SCHEMBL56672,
BSPBio_000621,
BSPBio_001742,
KBioGR_000949,
KBioSS_000716,
DivK1c_000280,
SPECTRUM1500633,
SPBio_000946,
SPBio_002542,
BPBio1_000685,
CHEMBL144673,
DTXSID1045297,
CHEBI:94339,
CTK8G0178,
HMS500N22,
KBio1_000280,
KBio2_000716,
KBio2_003284,
KBio2_005852,
KBio3_001242,
NINDS_000280,
HMS1569P03,
HMS1921M09,
HMS2096P03,
HMS3713P03,
Pharmakon1600-01500633,
HY-B0996,
NSC17764,
ZX-AT010428,
Tox21_110424,
CCG-39752,
NSC757394,
OR8156,
SBB001384,
AKOS000277944,
AKOS024348907,
Tox21_110424_1,
CS-4490,
DB08958,
MCULE-8471986715,
NSC-757394,
IDI1_000280,
NCGC00094819-01,
NCGC00094819-02,
NCGC00094819-03,
NCGC00094819-04,
NCGC00094819-07,
AN-43898,
CC-29333,
SMR000059080,
Hexetidine, mixture of stereoisomers, 97%,
SBI-0051566.P002,
LS-173102,
AB00052133,
FT-0627047,
ST50826237,
X6883,
D07068,
AB00052133_06,
141H946,
C-20302,
Pyrimidine,3-bis(2-ethylhexyl)hexahydro-5-methyl-,
SR-01000872662-1,
SR-01000872662-2,
I14-44805,
5-Pyrimidinamine,3-bis(2-ethylhexyl)hexahydro-5-methyl-,
1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-amine,
1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidin-5-amine,
5-pyrimidinamine,1,3-bis(2-ethylhexyl)hexahydro-5-methyl-,
Hexetidine, European Pharmacopoeia (EP) Reference Standard,
1,3-Bis(2-ethylhexyl)-5-methylhexahydro-5-pyrimidinamine #,
Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl- (8CI),
Bactidol,
Doreperol,
Oraldine,
Oralspray,
Duranil,
VagiHex,
Steri sol,
Steri-sol,
Vagi Hex,
Vagi-Hex,
stas Gurgellosung N,
Gurgellosung N, Stas,
CID3607,
AR-1L5622,
C21-H45-N3,
D006590,
1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidinamine,
14347-97-8,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.361g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.612g/mol |
| Monoisotopic Mass | 339.361g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

