chempirical

Phenylalanine amide hydrochloride

C9H13ClN2OCAS 65864-22-4200.67 g/mol

Open in Covalent MOL file
ONH2NH2HCl
AmidePrimary amine

Properties

Molecular formula
C9H13ClN2O
Molar mass
200.67 g/mol
Exact mass
200.0716 Da
logP
0.46Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 2
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
65864-22-4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N)N.Cl
InChIKey
KLHLGTPNBQXSJT-QRPNPIFTSA-N
InChI
InChI=1S/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H/t8-;/m0./s1

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Names and synonyms

1 names
  • L-Phenylalaninamide hydrochloride

Work with Phenylalanine amide 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.

Phenylalaninamide5241-58-7Free base H-D-Phe-nh2 hcl71666-94-9Enantiomer

Similar compounds

H-Tyr-nh2 hcl53559-18-569 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-659 % similar Phenylalanine benzyl ester hydrochloride2462-32-059 % similar (±)-Phenylalanine methyl ester hydrochloride5619-07-859 % similar Methyl L-phenylalaninate hydrochloride7524-50-759 % similar Phenylalanine ethyl ester hydrochloride3182-93-256 % similar H-D-Phe-oet hcl63060-94-656 % similar DL-Phenylalanine150-30-156 % similar

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

Same formula

3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride160842-62-6 2-Ethoxybenzamidine hydrochloride18637-00-8

Elsewhere

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