Basic information
- CAS
788153-27-5- Standard SMILES
N[C@H](CC(=O)O)c1cccc(Br)c1- InChIKey
RLYAXKJHJUXZOT-MRVPVSSYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- (R)-3-Amino-3-(3-bromophenyl)propanoic acid
- IUPAC
- (3R)-3-amino-3-(3-bromophenyl)propanoic acid
- English name
- (R)-3-(3-BROMOPHENYL)-BETA-ALANINE
- Molecular formula
- C9H10BrNO2
- Molecular weight
- 244.09
Names & synonyms
788153-27-5(R)-3-Amino-3-(3-bromophenyl)propanoic acid(r)-3-(3-bromophenyl)-beta-alanine(3R)-3-amino-3-(3-bromophenyl)propanoic acid(r)-3-amino-3-(3-bromo-phenyl)-propionic acidMFCD04113653h-d-beta-phe(3-br)-oh(r)-3-amino-3-(3-bromophenyl)propionic acid(R)-3-Amino-3-(3-bromophenyl)propanoicacidh-phg(3-br)-(c*ch2)oh(R)- -(3-Bromophenyl)alanineR-3-Amino-3-(3-bromo-phenyl)-propionic acid
Show more names
H-D-β-Phe(3-Br)-OH3-Bromo-L-β-homophenylglycineD-3-Amino-3-(3-bromo)propanoic acid(βR)-β-Amino-3-bromobenzenepropanoic acid(3R)-3-amino-3-(3-bromophenyl)propanoicaci(R)-3-Amino-2-(3-bromophenyl)propanoic acid
(r)-beta-(3-bromophenyl)alanineBenzenepropanoic acid, b-amino-3-bromo-, (bR)-(r)-3-amino-3-(3-bromo-phenyl)-propanoic acidH-D-b-Phe(3-Br)-OHSCHEMBL5721007H-D-|A-Phe(3-Br)-OHSCHEMBL38666095H-(R)-beta-Phe(3-Br)-OH
Database identifiers
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 225.4 · 225.4-225.6 °C
- Boiling point
- 367.325 · 367.325±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.585 · 1.585±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.604 · 3.604±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers49 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
杭州东帆化学有限公司86-0571-85151182
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海智存生物科技有限公司 (上海图芃生物科技有限公司）13761914825 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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