H-D-Phe-nh2 hcl

C₉H₁₃ClN₂OCAS 71666-94-9200.67 g/mol

Open in Covalent MOL file

Amide Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin 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

71666-94-9

SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N)N.Cl

InChIKey

KLHLGTPNBQXSJT-DDWIOCJRSA-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-;/m1./s1

Weigh it out

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

Work with H-D-Phe-nh2 hcl

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, enantiomer Phenylalanine amide hydrochloride65864-22-4Enantiomer

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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