L-Phenylalanine, 4-amino-, hydrochloride (1:1)

C₉H₁₃ClN₂O₂CAS 62040-55-5216.66 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

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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Names and synonyms

1 names

L-Phenylalanine, 4-amino-, monohydrochloride

Work with L-Phenylalanine, 4-amino-, hydrochloride (1:1)

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

4-Amino-dl-phenylalanine2922-41-091 % similar 4-Amino-L-phenylalanine943-80-691 % similar Tyrosine hydrochloride16870-43-275 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-571 % 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

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

Same formula

N-(4-Nitrophenethyl)-N-methylamine hydrochloride166943-39-1 1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-6

Elsewhere

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