N4-Methylpyridine-3,4-diamine - CAS 1839-17-4

Catalog:	BB014108
Product Name:	N4-Methylpyridine-3,4-diamine
CAS:	1839-17-4
Synonyms:	N4-methylpyridine-3,4-diamine; 4-N-methylpyridine-3,4-diamine

Technical Data

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Computed Properties

IUPAC Name:	4-N-methylpyridine-3,4-diamine
Description:	N4-Methylpyridine-3,4-diamine (CAS# 1839-17-4) is a useful research chemical.
Molecular Weight:	123.16
Molecular Formula:	C6H9N3
Canonical SMILES:	CNC1=C(C=NC=C1)N
InChI:	InChI=1S/C6H9N3/c1-8-6-2-3-9-4-5(6)7/h2-4H,7H2,1H3,(H,8,9)
InChI Key:	CACZIDDDEFIYTF-UHFFFAOYSA-N
LogP:	0.70860

Publication Number	Title	Priority Date
WO-2019214681-A1	Heteroaryl compounds and uses thereof	20180509
WO-2019173790-A1	Pyridinone- and pyridazinone-based compounds and medical uses thereof	20180309
US-2020407339-A1	Pyridinone- and pyridazinone-based compounds and uses thereof	20180309
EP-3762377-A1	Pyridinone- and pyridazinone-based compounds and medical uses thereof	20180309
TW-I713809-B	Glp-1 receptor agonists and uses thereof	20161216

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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:	84.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.079647300
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2