Basic information
- CAS
787544-61-0- Standard SMILES
N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1- InChIKey
SJBFILRQMRECCK-MRVPVSSYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- (r)-3-Amino-3-(3-nitrophenyl)propionic acid
- IUPAC
- (3R)-3-amino-3-(3-nitrophenyl)propanoic acid
- English name
- (R)-3-Amino-3-(3-nitro-phenyl)-propionic acid
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
787544-61-0(r)-3-amino-3-(3-nitrophenyl)propionic acid(3R)-3-amino-3-(3-nitrophenyl)propanoic acid(r)-3-amino-3-(3-nitro-phenyl)-propionic acid(r)-3-(3-nitrophenyl)-beta-alanine(r)-3-amino-3-(3-nitrophenyl)propanoic acid(r)-beta-(3-nitrophenyl)alanineMFCD04113660h-d-beta-phe(3-no2)-ohh-phg(3-no2)-(c*ch2)ohBenzenepropanoic acid, b-amino-3-nitro-, (bR)-R-3-Amino-3-(3-nitro-phenyl)-propionic acid
Show more names
H-D-b-Phe(3-NO2)-OH3-Nitro-L-β-homophenylglycineL-BETA-HOMO(3-NITROPHENYL)GLYCINED-3-Amino-3-(3-nitrophenyl)propanoic acid
RARECHEM DF HC P253SCHEMBL3310878(R)- -(3-Nitrophenyl)alanineDTXSID10351676SJBFILRQMRECCK-MRVPVSSYSA-NH-(R)-beta-Phe(3-NO2)-OHAKOS016842391AC-25404
Database identifiers
- CAS
787544-61-0- PubChem CID
- 706688
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 384.5 · 384.5±37.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.52 · 3.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers75 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
1 records
Compound notes
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