Basic information
- Standard SMILES
CC(C)(N)CCc1ccc(C(=O)O)cc1.Cl- InChIKey
HJJQGYOYFWMPLW-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
Names & identifiers
- Preferred name
- 3-(4-Carboxyphenyl)-1, 1-dimethylpropanamine hydrochloride
- IUPAC
- 4-(3-amino-3-methylbutyl)benzoic acid;hydrochloride
Names & synonyms
SCHEMBL11189806HJJQGYOYFWMPLW-UHFFFAOYSA-N3-(4-carboxyphenyl)-1, 1-dimethylpropanamine hydrochloride
Database identifiers
- PubChem CID
- 70533291
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
1 records
Compound notes
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