chempirical

Dl-phenylalanine

C9H11NO2CAS 150-30-1165.19 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
186 °C (decomposes)
logP
0.64Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 113 ECHA notifiers. Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
150-30-1
SMILES
NC(Cc1ccccc1)C(=O)O
InChIKey
COLNVLDHVKWLRT-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)

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Names and synonyms

16 names · show all
  • Phenylalanine
  • Alanine, phenyl-, DL-
  • Alanine, β-phenyl-
  • DL-β-Phenyl-α-alanine
  • DL-α-Amino-β-phenylpropionic acid
  • (±)-Phenylalanine
  • DL-3-Phenylalanine
  • (±)-β-Phenyl-α-alanine
  • DL-2-Amino-3-phenylpropionic acid
  • (±)-3-Phenyl-2-aminopropanoic acid
  • 2-Amino-3-phenylpropanoic acid
  • NSC 9959
  • DLPA
  • DL-2-Amino-3-phenylpropanoic acid
  • DL-beta-Phenyl-alpha-alanine
  • 2-Azaniumyl-3-phenylpropanoate

Reactions

Work with 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

Phenylalanine63-91-2100 % similar D-Phenylalanine673-06-3100 % similar L-4-Benzoylphenylalanine104504-45-274 % similar O-Benzyl-L-tyrosine16652-64-573 % similar Dl-homophenylalanine1012-05-172 % similar D-Tyrosine556-02-572 % similar Dl-tyrosine556-03-672 % similar Tyrosine60-18-472 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4 N-(Phenylmethyl)glycine17136-36-6

Elsewhere

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