Basic information
- CAS
84872-79-7- Standard SMILES
COC(=O)CC(CN)c1ccccc1- InChIKey
QGMLRHACACRFNN-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Methyl 4-amino-3-phenylbutanoate
- IUPAC
- methyl 4-amino-3-phenylbutanoate
- English name
- Methyl 4-amino-3-phenylbutanoate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.2423
Names & synonyms
methyl 4-amino-3-phenylbutanoate84872-79-7DTXSID101005155RefChem:1089459DTXCID401432042Methyl ester of phenigamaButyric acid, 4-amino-3-phenyl-, methyl esterbeta-(Aminomethyl)hydrocinnamic acid methyl esterHYDROCINNAMIC ACID, beta-(AMINOMETHYL)-, METHYL ESTERSCHEMBL3696787methyl 4-amino-3-phenyl-butanoateSTL509560
Show more names
4-Amino-3-phenyl-butyric acid methyl esterBenzenepropanoic acid, β-(aminomethyl)-, methyl ester
AKOS014066858DB-230772CS-0302072EN300-1068614
Database identifiers
- CAS
84872-79-7- PubChem CID
- 55296
- DTXSID
DTXSID101005155- Nikkaji
- J59.894A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 296.5 · 296.5±28.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 8.93 · 8.93±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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