4-Amino-3-phenylbutyric acid hydrochloride

C₁₀H₁₄ClNO₂CAS 3060-41-1215.68 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₄ClNO₂
Molar mass: 215.68 g/mol
Exact mass: 215.0713 Da
logP: 1.63Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

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

3060-41-1

SMILES

C1=CC=C(C=C1)C(CC(=O)O)CN.Cl

InChIKey

XSYRYMGYPBGOPS-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO2.ClH/c11-7-9(6-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H

Weigh it out

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

Names and synonyms

1 names

3-Amino-4-phenylbutyric acid hydrochloride

Work with 4-Amino-3-phenylbutyric acid hydrochloride

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.

Phenibut1078-21-3Free base (S)-4-Amino-3-phenylbutanoic acid62596-63-8Free base, defined stereoisomer (R)-4-Amino-3-phenylbutanoic acid35568-36-6Free base, defined stereoisomer

Similar compounds

3-Phenylglutaric acid4165-96-270 % similar Baclofen1134-47-064 % similar (S)-Baclofen66514-99-664 % similar (R)-4-Amino-3-P-tolylbutanoic acid67112-56-564 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-664 % similar (-)-Baclofen69308-37-864 % similar (R)-4-Amino-3-(4-fluorophenyl)butanoic acid741217-33-464 % similar (S)-4-Amino-3-(4-fluorophenyl)butanoic acid747371-90-064 % similar

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

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 Methyl (R)-phenylalaninate hydrochloride13033-84-6 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 Alanine benzyl ester hydrochloride5557-83-5 (±)-Phenylalanine methyl ester hydrochloride5619-07-8

Elsewhere

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