N,N-Bis(2-chloroethyl)-o-methylbenzylamine
Basic information
- CAS
30377-48-1- Standard SMILES
Cc1ccccc1CN(CCCl)CCCl- InChIKey
ZTVWBPHEDHURJC-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N
- Average molar mass
- 246.17 g/mol
- Monoisotopic mass
- 245.0738049
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-o-methylbenzylamine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(2-methylphenyl)methyl]ethanamine
- English name
- N,N-Bis(2-chloroethyl)-o-methylbenzylamine
- Molecular formula
- C12H17Cl2N
- Molecular weight
- 246.18
Names & synonyms
o-Methyl-dcba30377-48-1N,N-Bis(2-chloroethyl)-o-methylbenzylamineBRN 2693174N,N-Bis(2-chloroethyl)-2-methylbenzenemethanamineo-Methyl-di-(2-chloroethyl)-benzylamineBenzenemethanamine, N,N-bis(2-chloroethyl)-2-methyl-BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-o-METHYL-4-12-00-02518 (Beilstein Handbook Reference)NCIOpen2_003196Y2QL82GPC2DTXSID00184455
Show more names
Benzenemethanamine, N,N-bis(2-chloroethyl)-2-methyl- (9CI)benzylamine, N,N-bis(2-chloroethyl)-2-methyl-Bis(2-chloroethyl)-2-methyl-benzenemethanamine, N,N-N,N-BIS(2-CHLOROETHYL)-2-METHYL-BENZENEMETHANAMINE2-Chloro-N-(2-chloroethyl)-N-[(2-methylphenyl)methyl]ethan-1-amine
Database identifiers
- CAS
30377-48-1- PubChem CID
- 35314
- DTXSID
DTXSID00184455- UNII
- Y2QL82GPC2
- Nikkaji
- J66.039F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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