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3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochloride

3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochloride - CAS 1173081-96-3

Catalog:	BB003925
Product Name:	3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochloride
CAS:	1173081-96-3
Synonyms:	3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride; 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
Description:	3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochloride (CAS# 1173081-96-3) is a useful research chemical.
Molecular Weight:	188.65
Molecular Formula:	C8H13ClN2O
Canonical SMILES:	CC1=CC(=C(C(=O)N1)CN)C.Cl
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
InChI Key:	ZMDPNGUJHPRAMG-UHFFFAOYSA-N
LogP:	2.36500

Publication Number	Title	Priority Date
WO-2020228591-A1	Preparation method for 6-substituted aminobenzofuran compound	20190510
WO-2020192650-A1	Preparation method for amide compound and application thereof in field of medicine	20190325
WO-2020192652-A1	Preparation method for amide compounds and use thereof in medical field	20190325
CN-113330008-A	Preparation method of amide compound and application of amide compound in field of medicine	20190325
CN-109320499-B	Pyrrole-3-formamide compound and preparation method and application thereof	20181114

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0716407
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	188.0716407
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0