Quinoline-3,4-diamine - CAS 87751-33-5

Catalog:	BB038622
Product Name:	Quinoline-3,4-diamine
CAS:	87751-33-5
Synonyms:	quinoline-3,4-diamine; quinoline-3,4-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	quinoline-3,4-diamine
Description:	Quinoline-3,4-diamine (CAS# 87751-33-5 ) is a useful research chemical.
Molecular Weight:	159.19
Molecular Formula:	C9H9N3
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(C=N2)N)N
InChI:	InChI=1S/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)
InChI Key:	UTOMICFLROGMAE-UHFFFAOYSA-N
Boiling Point:	384.3 °C at 760 mmHg
Density:	1.312 g/cm³
LogP:	2.56160

Publication Number	Title	Priority Date
WO-2021204930-A1	Substituted condensed azines as anthelmintic compounds	20200409
WO-2021121420-A1	Benzopyrazole compound and intermediate, preparation method, and application thereof	20191220
WO-2020245706-A1	N-1 branched alkyl substituted imidazo[4,5-c]quinoline compounds, compositions, and methods	20190606
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0796473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	159.0796473
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8