Basic information
- Standard SMILES
NCC(N)CCc1ccc(Cl)cc1- InChIKey
UPZKJZNMADCPRN-UHFFFAOYSA-N- Molecular formula
- C10H15ClN2
- Average molar mass
- 198.69 g/mol
- Monoisotopic mass
- 198.0923762
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-1,2-butanediamine
- IUPAC
- 4-(4-chlorophenyl)butane-1,2-diamine
Names & synonyms
SCHEMBL3442085UPZKJZNMADCPRN-UHFFFAOYSA-N4-(4-Chlorophenyl)-1,2-butanediamine
Database identifiers
- PubChem CID
- 68644129
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Related reactions
3 records
Compound notes
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