p-Chlorophenylalanine methyl ester hydrochloride
Basic information
- CAS
14173-40-1- Standard SMILES
COC(=O)C([NH3+])Cc1ccc(Cl)cc1.[Cl-]- InChIKey
GCBCWTWQAFLKJG-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.032334
Overview
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Names & identifiers
- Preferred name
- p-Chlorophenylalanine methyl ester hydrochloride
- IUPAC
- [3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
- English name
- DL-4-Chlorophenylalanine methyl ester hydrochloride
- Molecular formula
- C10H13Cl2NO2
- Molecular weight
- 250.12
Names & synonyms
PCPA hydrochloridep-Chlorophenylalanine methyl ester hydrochloride[3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium;chlorideALANINE, 3-(p-CHLOROPHENYL)-, METHYL ESTER, HYDROCHLORIDEMethyl 4-chloro-3-phenyl-DL-alaninate hydrochlorideAKOS015890377TIMTEC-BB SBB003149H-p-Chloro-DL-Phe-OMeH-DL-PHE(4-CL)-OME HCLp-Chloro-DL-Phe-OMe·HCl4-CHLORO-DL-PHE-OME HCLH-P-CHLORO-DL-PHE-OME HCL
Show more names
p-Chlorophenylalanine methylP-CHLORO-DL-PHENYLALANINE HCL4-Chloro-L-phenylalanine methyldl-pcpamethylesterhydrochloride
Database identifiers
- CAS
14173-40-1、23434-91-5- PubChem CID
- 26531
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 186 · 186-189 °C(lit.)
- storage temp.
- -20 °C · -20°C
- solubility
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO
- form
- Solid
- color
- White to off-white
- InChI
- 1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H
- InChIKey
- GCBCWTWQAFLKJG-UHFFFAOYSA-N
- SMILES
- Cl.COC(=O)C(N)Cc1ccc(Cl)cc1
- CAS DataBase Reference
- 14173 · 14173-40-1(CAS DataBase Reference)
- FDA UNII
- 0 YKX1H41 · OC0YKX1H41
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314
- Precautionary statements
- 264 b-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501c · P264b-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501c
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- AY4452100
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314
- Precautionary statements
- P264b-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501c
Chemistry & industry
Applications
Uses4-Chloro-DL-phenylalanine methyl ester hydrochloride has been used to induce 5-hydroxytryptamine (5-HT) depletion in rats.
General Description4-Chloro-DL-phenylalanine methyl ester hydrochloride stimulates glucose intolerance in pregnant mice. Studies have shown that 4-Chloro-DL-phenylalanine methyl ester hydrochloride is associated with cognitive defects in rodents.
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Compound notes
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