3,3-Dimethylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
Basic information
- CAS
87252-98-0- Standard SMILES
CC(C)(C)CCOC(=O)CC(N)c1ccccc1.Cl- InChIKey
DSHLEXJGVNRPNE-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- 3,3-Dimethylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- 3,3-dimethylbutyl 3-amino-3-phenylpropanoate;hydrochloride
Names & synonyms
87252-98-0DTXSID6010074513,3-Dimethylbutyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)RefChem:1065632DTXCID001434303beta-Alanine, 3-phenyl-, 3,3-dimethylbutyl ester, hydrochloride, DL-DL-3-Phenyl-beta-alanine 3,3-dimethylbutyl ester hydrochlorideBenzenepropanoic acid, beta-amino-, 3,3-dimethylbutyl ester, hydrochloride, (+-)-
Database identifiers
- CAS
87252-98-0- PubChem CID
- 3071065
- DTXSID
DTXSID601007451
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
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Related reactions
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Compound notes
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