Basic information
- Standard SMILES
Cc1cccc(C(=O)CCCCl)c1N.Cl- InChIKey
DKZJMESJYMHTCW-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2NO
- Average molar mass
- 248.15 g/mol
- Monoisotopic mass
- 247.0530695
Names & identifiers
- Preferred name
- 1-(2-Amino-3-methylphenyl)-4-chlorobutan-1-one hydrochloride
- IUPAC
- 1-(2-amino-3-methylphenyl)-4-chlorobutan-1-one;hydrochloride
Names & synonyms
SCHEMBL9864094DKZJMESJYMHTCW-UHFFFAOYSA-N1-(2-Amino-3-methylphenyl)-4-chlorobutan-1-one hydrochloride
Database identifiers
- PubChem CID
- 20072753
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
2 records
Compound notes
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