(S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
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Basic information
- CAS
757937-66-9- Standard SMILES
N[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl- InChIKey
QGHQDRDWQIHGKZ-QMMMGPOBSA-N- Molecular formula
- C9H9Cl2NO2
- Average molar mass
- 234.08 g/mol
- Monoisotopic mass
- 233.0010339
Names & identifiers
- Preferred name
- (S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
- IUPAC
- (3S)-3-amino-3-(2,4-dichlorophenyl)propanoic acid
- English name
- (S)-3-AMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID
- Molecular formula
- C9H9Cl2NO2
- Molecular weight
- 234.08
Names & synonyms
757937-66-9(S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid(3S)-3-amino-3-(2,4-dichlorophenyl)propanoic acid(S)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acidMFCD04113673S-3-Amino-3-(2,4-dichlorophenyl)propionic acid(S)-3-Amino-3-(2,4-dichlorophenyl)propanoicacidH-beta-Phe(2,4-DiCl)-OHDTXSID60351661H-|A-Phe(2,4-DiCl)-OHH-(S)-beta-Phe(2,4-diCl)-OHAKOS016843637
Show more names
S-2,4-CL2-PHAH-b-Phe(2,4-DiCl)-OHH-β-Phe(2,4-DiCl)-OHH-D-PHG(2,4-CL 2)-(C*CH2)OH2,4-Dichloro-D-β-homophenylglycineL-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
AC-25378PS-12099SY255964CS-0157096N12320(S)-3-Amino-3-(24-dichlorophenyl)propanoic acid(S)-3-Amino-3-(2,4-dichloro-phenyl)propionic acid
Database identifiers
- CAS
757937-66-9- PubChem CID
- 706301
- DTXSID
DTXSID60351661
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 371.14 · 371.140±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.574 · 3.574±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses(S)-3-Amino-3-(2,4-dichlorophenyl)propionic Acid is used as a reactant in the preparation of β-amino acid derivatives as inhibitors of cathepsin A.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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