Basic information
- CAS
5396-82-7- Standard SMILES
CCCNCC(O)CNc1ccc(Cl)cc1- InChIKey
CDHQJUOWVCOCSW-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O
- Average molar mass
- 242.74 g/mol
- Monoisotopic mass
- 242.1185909
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)amino]-3-(propylamino)propan-2-ol
- IUPAC
- 1-(4-chloroanilino)-3-(propylamino)propan-2-ol
Names & synonyms
5396-82-71-(4-chloroanilino)-3-(propylamino)propan-2-ol1-[(4-chlorophenyl)amino]-3-(propylamino)propan-2-olNSC4366DTXSID90277825NSC-4366
Database identifiers
- CAS
5396-82-7- PubChem CID
- 220883
- DTXSID
DTXSID90277825
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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