Phenylalanine amide hydrochloride

C9H13ClN2OCAS 65864-22-4200.67 g/mol

Open in Covalent MOL file
OH2NNH2HCl
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

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

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

Weigh it out

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

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 Methyl 3-phenyl-DL-alaninate 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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