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

C8H13ClN2OCAS 1173081-96-3188.66 g/mol

Open in Covalent MOL file
OHNNH2HCl
Primary amine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one771579-27-2Free base

Similar compounds

2,4,6-Trimethoxybenzylamine hydrochloride146548-59-636 % similar 3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde2199-58-835 % similar 2,6-Dimethyl-4-pyridinol13603-44-633 % similar 3,5-Dimethylpyrrole-2-carboxylic acid4513-93-333 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-232 % similar 2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid846557-80-032 % similar 3-Bromo-2-hydroxy-6-picoline374633-33-732 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-931 % 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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