Basic information
- CAS
31873-96-8- Standard SMILES
CC(CCN(CCCl)c1ccc(N)cc1)c1ccc(N)cc1- InChIKey
PXTOLQIJFDDRMB-UHFFFAOYSA-N- Molecular formula
- C18H24ClN3
- Average molar mass
- 317.9 g/mol
- Monoisotopic mass
- 317.1658755
Names & identifiers
- Preferred name
- Unii-I8FL9GD5ZW
- IUPAC
- 4-N-[3-(4-aminophenyl)butyl]-4-N-(2-chloroethyl)benzene-1,4-diamine
Names & synonyms
UNII-I8FL9GD5ZWNSC 134445
Database identifiers
- CAS
31873-96-8- PubChem CID
- 35962
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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