Basic information
- CAS
1204-57-5- Standard SMILES
Cc1cccc(N(CCCl)CCCl)c1- InChIKey
WVZOGRZYBUCDOT-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.0581549
Names & identifiers
- Preferred name
- Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-
- IUPAC
- N,N-bis(2-chloroethyl)-3-methylaniline
Names & synonyms
1204-57-5Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-DTXSID10152847RefChem:1078176DTXCID8075338N,N-bis(2-chloroethyl)-3-methylanilineN,N-Bis(2-chloroethyl)-m-toluidineBRN 3031686NSC18442Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI)m-Toluidine, N,N-bis(2-chloroethyl)-3-12-00-01954 (Beilstein Handbook Reference)
Show more names
CHEMBL19462SCHEMBL10993752WVZOGRZYBUCDOT-UHFFFAOYSA-NToluidine,N'-bis(2-chloroethyl)-NSC 18442NSC-18442STL196682AKOS016007270
Database identifiers
- CAS
1204-57-5- PubChem CID
- 95113
- DTXSID
DTXSID10152847- ChEMBL
CHEMBL19462- Nikkaji
- J148.272F
Properties
Computed structural properties
- XLogP
- 4
- 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
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…