Ligustrazine hydrochloride

C8H13ClN2CAS 76494-51-4172.66 g/mol

Open in Covalent MOL file
NNHCl

Properties

Molecular formula
C8H13ClN2
Molar mass
172.66 g/mol
Exact mass
172.0767 Da
logP
2.13Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
76494-51-4
SMILES
Cc1nc(C)c(C)nc1C.Cl
InChIKey
RQKFOGXUTRDQPB-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.ClH/c1-5-6(2)10-8(4)7(3)9-5;/h1-4H3;1H

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

Names and synonyms

4 names
  • Pyrazine, 2,3,5,6-tetramethyl-, hydrochloride (1:?)
  • Pyrazine, tetramethyl-, hydrochloride
  • Tetramethylpyrazine hydrochloride
  • Chuanxiongzine hydrochloride

Work with Ligustrazine 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.

Tetramethylpyrazine1124-11-4Free base

Similar compounds

2,3-Dimethylquinoxaline2379-55-740 % similar 2-Amino-4,5-dimethylthiazole hydrochloride71574-33-940 % similar 2,3,5-Trimethylpyrazine14667-55-136 % similar 3-Amino-6-methoxy-2-picoline hcl320577-63-734 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-633 % similar Dimethyl-1,2,5-oxadiazole4975-21-733 % similar 2,3-Dimethylpyrazine5910-89-433 % similar Amino pyrazole dihydrochloride197367-87-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Ethylphenyl)hydrazine hydrochloride19398-06-2 p-Amino-N,N-dimethylaniline monohydrochloride2052-46-2 4-Ethylphenylhydrazine hydrochloride53661-18-0 2,3-Dimethylphenylhydrazine hydrochloride56737-75-8 2,5-Dimethylphenylhydrazine hydrochloride56737-78-1 (2-Ethylphenyl)hydrazine hydrochloride58711-02-7 2,4-Dimethylphenylhydrazine hydrochloride60480-83-3 (3,5-Dimethylphenyl)hydrazine hydrochloride60481-36-9

Elsewhere

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