Basic information
- Standard SMILES
ClCC[NH2+]Cc1ccccc1- InChIKey
XTXGPBAONFJRNO-UHFFFAOYSA-O- Molecular formula
- C9H13ClN+
- Average molar mass
- 170.66 g/mol
Names & identifiers
- Preferred name
- Benzyl(2-chloroethyl)azanium
- IUPAC
- benzyl(2-chloroethyl)azanium
Database identifiers
- PubChem CID
- 6994773
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 89.6
Related reactions
5 records
Compound notes
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