chempirical

4-Chloro-dl-phenylalanine

C9H10ClNO2CAS 7424-00-2199.63 g/mol

Open in Covalent MOL file
H2NClOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H10ClNO2
Molar mass
199.63 g/mol
Exact mass
199.0400 Da
Melting point
243–244 °C
logP
1.29Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
7424-00-2
SMILES
NC(Cc1ccc(Cl)cc1)C(=O)O
InChIKey
NIGWMJHCCYYCSF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Phenylalanine, 4-chloro-
  • Alanine, 3-(p-chlorophenyl)-, DL-
  • DL-Phenylalanine, 4-chloro-
  • 4-Chlorophenylalanine
  • CP 10188
  • Fenclonine
  • DL-p-Chlorophenylalanine
  • Fenchlonine
  • DL-4-Chlorophenylalanine
  • p-Chloro-DL-phenylalanine
  • (±)-p-Chlorophenylalanine
  • DL-3-(p-Chlorophenyl)alanine
  • Fenclonin
  • 3-(p-Chlorophenyl)alanine
  • p-Chlorophenylalanine
  • NSC 77370
  • 2-Amino-3-(4-chlorophenyl)propanoic acid
  • 2-Amino-3-(4-chloro-phenyl)-propionic acid

Work with 4-Chloro-dl-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Tyrosine556-02-571 % similar Dl-tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 3-Chloro-D-phenylalanine80126-52-970 % similar 4-Amino-dl-phenylalanine2922-41-069 % similar 4-Amino-L-phenylalanine943-80-669 % similar Phenylalanine63-91-268 % similar D-Phenylalanine673-06-368 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-L-phenylalanine103616-89-3 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-3 (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-4 (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8 Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-0 Methyl (αR)-α-amino-2-chlorobenzeneacetate141109-16-2 4-Chloro-L-phenylalanine14173-39-8 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-2

Elsewhere

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