Basic information
- CAS
6636-75-5- Standard SMILES
ClCCN(CCCl)c1ccc(Cl)cc1- InChIKey
AXGDAIAIPBYYBL-UHFFFAOYSA-N- Molecular formula
- C10H12Cl3N
- Average molar mass
- 252.6 g/mol
- Monoisotopic mass
- 251.003532
Names & identifiers
- Preferred name
- 4-Chloro-N,N-bis(2-chloroethyl)aniline
- IUPAC
- 4-chloro-N,N-bis(2-chloroethyl)aniline
Names & synonyms
4-Chloro-N,N-bis(2-chloroethyl)aniline6636-75-5p-Chloro-N,N-bis(2-chloroethyl)anilineBenzenamine, 4-chloro-N,N-bis(2-chloroethyl)-Aniline, p-chloro-N,N-bis(2-chloroethyl)-VXG4VEX29TNSC-18441NSC 18441BRN 2970592NSC18441UNII-VXG4VEX29T3-12-00-01330 (Beilstein Handbook Reference)
Show more names
Aniline, p-chloro-N,N-bis(2-chloroethyl)- (8CI)CHEMBL353508SCHEMBL8599765DTXSID80216586AXGDAIAIPBYYBL-UHFFFAOYSA-NN,N-bis-(2-chloroethyl)-4-chloroanilineChloro-N,N-bis(2-chloroethyl)aniline, p-4-Chloro-N,N-bis(2-chloroethyl)benzenamine
Database identifiers
- CAS
6636-75-5- PubChem CID
- 95112
- DTXSID
DTXSID80216586- ChEMBL
CHEMBL353508- UNII
- VXG4VEX29T
- Nikkaji
- J672.061G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 140
Related reactions
3 records
Compound notes
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