3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride

C₈H₁₃ClN₂OCAS 1173081-96-3188.66 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₃ClN₂O
Molar mass: 188.66 g/mol
Exact mass: 188.0716 Da
logP: 0.87Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1173081-96-3

SMILES

CC1=CC(=C(C(=O)N1)CN)C.Cl

InChIKey

ZMDPNGUJHPRAMG-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H

Weigh it out

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

Work with 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one 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

Similar compounds

2,6-Dimethyl-4-pyridinol13603-44-633 % similar 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-531 % similar 3,4-Dimethylbenzenemethanamine102-48-730 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-730 % similar

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

Same formula

(4-Methoxybenzyl)hydrazine hydrochloride2011-48-5 2-Butyl-5-chloro-1H-imidazole-4-methanol79047-41-9

Elsewhere

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