Basic information
- CAS
28311-37-7- Standard SMILES
Cc1ccc(C(CN)CC(=O)O)cc1.Cl- InChIKey
FCGLLGMJUAIJIZ-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Names & identifiers
- Preferred name
- Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride (1:1)
- IUPAC
- 4-amino-3-(4-methylphenyl)butanoic acid;hydrochloride
Names & synonyms
28311-37-7RefChem:1078615Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride (1:1)beta-(Aminomethyl)-p-methylhydrocinnamic acid hydrochloride4-amino-3-(4-methylphenyl)butanoic acid;hydrochlorideHydrocinnamic acid, beta-(aminomethyl)-p-methyl-, hydrochlorideCambridge id 5316526DTXSID409510024-Amino-3-(4-methylphenyl)butanoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
28311-37-7- PubChem CID
- 64862
- DTXSID
DTXSID40951002
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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