Basic information
- CAS
13398-26-0- Standard SMILES
C[C@@](N)(C(=O)O)c1ccccc1- InChIKey
HTCSFFGLRQDZDE-VIFPVBQESA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- (2S)-2-amino-2-phenylpropanoic acid
- IUPAC
- (2S)-2-amino-2-phenylpropanoic acid
- English name
- (2S)-2-AMINO-2-PHENYLPROPANOIC ACID
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
13398-26-0(2S)-2-amino-2-phenylpropanoic acid(S)-2-amino-2-phenylpropanoic acid(S)-ALPHA-METHYL-PHENYLGLYCINE2-phenyl-d-alanineBenzeneacetic acid, a-amino-a-methyl-, (aS)-MFCD07371947(2S)-2-Amino-2-phenyl-propanoic acid(2S)-2-AMINO-2-PHENYLPROPANOICACID(S)-2-Methyl-2-phenylglycine(S)-2-AMINO-2-PHENYL-PROPIONIC ACID(S)-2-Amino-2-phenylpropionic acid
Show more names
(+)-2-Phenyl-D-alanine(S)-α-methyl-phenylglycine(S)-2-Phenyl-2-methylglycine(S)-2-Methyl-2-phenyl glycine(2S)-2-Amino-2-phenylpropionic acid
2-(s)-phenylalanineSCHEMBL222049CHEMBL3085306DTXSID901335235(S)-2-amino-2-phenylpropanoicacidNAA39826AKOS006287023(S)?-?2-?Methyl-?2-?phenylglycine
Database identifiers
- CAS
13398-26-0- PubChem CID
- 853461
- DTXSID
DTXSID901335235- ChEMBL
CHEMBL3085306- Nikkaji
- J35.826F
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 294 °C · 294 °C
- Boiling point
- 298.5 · 298.5±28.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers26 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海维亦特生物科技有限公司15317051735 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
8 records
Compound notes
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