(R)-3-Amino-3-(3-chlorophenyl)propanoic acid
Basic information
- CAS
262429-49-2- Standard SMILES
N[C@H](CC(=O)O)c1cccc(Cl)c1- InChIKey
LIDRHPCWOYOBIZ-MRVPVSSYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- (R)-3-Amino-3-(3-chlorophenyl)propanoic acid
- IUPAC
- (3R)-3-amino-3-(3-chlorophenyl)propanoic acid
- English name
- (R)-3-Amino-3-(3-chloro-phenyl)-propionic acid
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
262429-49-2(r)-3-amino-3-(3-chlorophenyl)propanoic acidRefChem:210895(R)-3-Amino-3-(3-chloro-phenyl)-propionic acid(r)-3-(3-chlorophenyl)-beta-alanine(3r)-3-amino-3-(3-chlorophenyl)propanoic acid(r)-3-amino-3-(3-chlorophenyl)propionic acidMFCD04113654h-d-beta-phe(3-cl)-ohBENZENEPROPANOIC ACID, BETA-AMINO-3-CHLORO-, (BETAR)-(r)-beta-(3-chlorophenyl)alanine(2R)-3-amino-2-(3-chlorophenyl)propanoic acid
Show more names
(R)-β-Phe(3-Cl)-OHH-D-b-Phe(3-Cl)-OH(R)--(3-Chlorophenyl)alanine3-Chloro-L-β-homophenylglycineL-BETA-HOMO(3-CHLOROPHENYL)GLYCINE
R-3-Amino-3-(3-chloro-phenyl)-propionic acid(r)-3-amino-3-(3-chloro-phenyl)-propanoic acidh-phg(3-cl)-(c*ch2)ohSCHEMBL5720954H-D-|A-Phe(3-Cl)-OHH-(R)-beta-Phe(3-Cl)-OH(R)- -(3-Chlorophenyl)alanineDTXSID001256153
Database identifiers
- CAS
262429-49-2- PubChem CID
- 737979
- DTXSID
DTXSID001256153- EC Number
- 674-660-9
- Nikkaji
- J1.231.469H
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
- 230 · 230-233 °C(Solv: water (7732-18-5); acetone (67-64-1))
- Boiling point
- 334.7 · 334.7±32.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.6 · 3.60±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 262429 · 262429-49-2(CAS DataBase Reference)
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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