chempirical

4-Deoxypyridoxine

C8H12ClNO2CAS 148-51-6189.64 g/mol

Open in Covalent MOL file
NOHHOHCl
AlcoholHalogen

Properties

Molecular formula
C8H12ClNO2
Molar mass
189.64 g/mol
Exact mass
189.0557 Da
Melting point
254 °C
logP
1.32Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
148-51-6
SMILES
Cc1ncc(CO)c(C)c1O.Cl
InChIKey
QZKKOQQIVLXUEI-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2.ClH/c1-5-7(4-10)3-9-6(2)8(5)11;/h3,10-11H,4H2,1-2H3;1H

Weigh it out

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

Names and synonyms

10 names
  • 3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-, hydrochloride (1:1)
  • 3-Pyridinemethanol, 5-hydroxy-4,6-dimethyl-, hydrochloride
  • 4-Deoxypyridoxine hydrochloride
  • 4-Desoxyadermin hydrochloride
  • 2,4-Dimethyl-3-hydroxy-5-hydroxymethylpyridine hydrochloride
  • 5-Hydroxy-4,6-dimethyl-3-pyridinemethanol hydrochloride
  • 3-Hydroxy-5-hydroxymethyl-2,4-dimethylpyridine hydrochloride
  • 4-Deoxypyridoxol hydrochloride
  • 4-Desoxypyridoxine hydrochloride
  • 5-Hydroxymethyl-2,4-dimethylpyridin-3-ol hydrochloride

Work with 4-Deoxypyridoxine

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

Same formula

1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride15308-34-6 1-(m-Hydroxyphenyl)-2-aminoethanol hydrochloride4779-94-6 1-Acetyl-4-piperidinecarbonyl chloride59084-16-1 Dopamine hydrochloride62-31-7 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-2 (±)-Octopamine hydrochloride770-05-8 O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-5

Elsewhere

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