3-(Aminomethyl)-4-methylpyridine - CAS 1443-42-1

Catalog:	BB009765
Product Name:	3-(Aminomethyl)-4-methylpyridine
CAS:	1443-42-1
Synonyms:	(4-methyl-3-pyridinyl)methanamine; (4-methylpyridin-3-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-methylpyridin-3-yl)methanamine
Description:	3-(Aminomethyl)-4-methylpyridine (CAS# 1443-42-1) is a useful research chemical.
Molecular Weight:	122.17
Molecular Formula:	C7H10N2
Canonical SMILES:	CC1=C(C=NC=C1)CN
InChI:	InChI=1S/C7H10N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,4,8H2,1H3
InChI Key:	VLIQJGACTLGWCQ-UHFFFAOYSA-N
Boiling Point:	242.8 °C at 760 mmHg
Density:	1.027 g/cm³
MDL:	MFCD06213859
LogP:	1.54900

Publication Number	Title	Priority Date
JP-2021050161-A	Heterocyclic compounds and their uses	20190925
WO-2021059017-A1	Heterocyclic compound and use thereof	20190925
WO-2020114947-A1	Heteroaromatic compounds as vanin inhibitors	20181203
US-2019389854-A1	Therapeutic componds and methods of use thereof	20180620
US-11014921-B2	Therapeutic compounds and methods of use thereof	20180620

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GHS Hazard Statement:	H302+H332 (97.44%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (97.44%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501
Signal Word:	Danger

Complexity:	83
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.084398327
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1