chempirical

4-Amino-3-phenyl-L-alanine monohydrochloride

C9H13ClN2O2CAS 62040-55-5216.66 g/mol

Open in Covalent MOL file
HClH2NNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H13ClN2O2
Molar mass
216.66 g/mol
Exact mass
216.0666 Da
logP
0.65Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62040-55-5
SMILES
Cl.Nc1ccc(C[C@H](N)C(=O)O)cc1
InChIKey
ISCZSPZLBJLJGO-QRPNPIFTSA-N
InChI
InChI=1S/C9H12N2O2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,10-11H2,(H,12,13);1H/t8-;/m0./s1

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

Names and synonyms

2 names
  • L-Phenylalanine, 4-amino-, hydrochloride (1:1)
  • L-Phenylalanine, 4-amino-, monohydrochloride

Work with 4-Amino-3-phenyl-L-alanine monohydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-L-phenylalanine943-80-6Free base p-Amino-DL-phenylalanine hydrate2922-41-0Free base, stereo not defined

Similar compounds

Tyrosine hydrochloride16870-43-275 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-571 % similar 4-Chloro-D-phenylalanine hydrochloride147065-05-271 % similar D-Tyrosine556-02-567 % similar DL-Tyrosine556-03-667 % similar Tyrosine60-18-467 % similar Alanine, 3-(p-acetylphenyl)-, hydrochloride, L-20299-31-466 % similar DL-Phenylalanine150-30-164 % similar

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

Same formula

N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-1 H-Tyr-nh2 hcl53559-18-5 1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-6

Elsewhere

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