4-Chloro-D-phenylalanine hydrochloride

C9H11Cl2NO2CAS 147065-05-2236.09 g/mol

Open in Covalent MOL file
OOHH2NClHCl
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H11Cl2NO2
Molar mass
236.09 g/mol
Exact mass
235.0167 Da
logP
1.72Crippen estimate
Polar surface area
63.3 Ų
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.

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Identifiers

CAS number
147065-05-2
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)Cl.Cl
InChIKey
PFOCEDBJFKVRHU-DDWIOCJRSA-N
InChI
InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1

Weigh it out

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

Work with 4-Chloro-D-phenylalanine 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.

4-Chloro-DL-phenylalanine7424-00-2Free base, stereo not defined 4-Chloro-L-phenylalanine14173-39-8Free base, enantiomer (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8Free base

Similar compounds

Tyrosine hydrochloride16870-43-273 % similar 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-571 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-569 % similar 3-Chloro-L-phenylalanine80126-51-865 % similar 3-Chloro-D-phenylalanine80126-52-965 % similar D-Tyrosine556-02-565 % similar DL-Tyrosine556-03-665 % similar Tyrosine60-18-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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