Basic information
- Standard SMILES
ClCCCN1CCCCCC1- InChIKey
HBOZHTSTTRVJNT-UHFFFAOYSA-N- Molecular formula
- C9H18ClN
- Average molar mass
- 175.7 g/mol
- Monoisotopic mass
- 175.1127773
Names & identifiers
- Preferred name
- 1-(3-Chloropropyl)azepane
- IUPAC
- 1-(3-chloropropyl)azepane
Names & synonyms
1-(3-chloropropyl)azepaneMFCD20260254NCIOpen2_005765SCHEMBL6442113ALBB-030452AKOS010542330
Database identifiers
- PubChem CID
- 417483
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 87
Related reactions
1 records
Compound notes
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