Alpha-methyl-dl-histidine dihydrochloride

C₇H₁₃Cl₂N₃O₂CAS 32381-18-3242.10 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₁₃Cl₂N₃O₂
Molar mass: 242.10 g/mol
Exact mass: 241.0385 Da
logP: 0.60Crippen estimate
Polar surface area: 92.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

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

32381-18-3

SMILES

CC(CC1=CN=CN1)(C(=O)O)N.Cl.Cl

InChIKey

YWVHQKZLHBDZLG-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N3O2.2ClH/c1-7(8,6(11)12)2-5-3-9-4-10-5;;/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12);2*1H

Weigh it out

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Work with Alpha-methyl-dl-histidine dihydrochloride

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

Similar compounds

DL-α-Methylphenylalanine1132-26-952 % similar Alpha-Methyl-D-phenylalanine17350-84-452 % similar α-Methyl-L-phenylalanine23239-35-252 % similar Imidazoleacetic acid hydrochloride3251-69-249 % similar Alpha-methyl-L-tryptophan16709-25-448 % similar (R)-2-Methylcysteine hydrochloride148766-37-448 % similar (S)-2-Methylcysteine hydrochloride151062-55-448 % similar L-Histidine hydrochloride (1:?)1007-42-747 % similar

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

Same formula

Histidine methyl ester dihydrochloride7389-87-9

Elsewhere

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