3-Methyl-4-nitro-1,2-benzenediamine - CAS 170918-27-1

Catalog:	BB012683
Product Name:	3-Methyl-4-nitro-1,2-benzenediamine
CAS:	170918-27-1
Synonyms:	3-methyl-4-nitrobenzene-1,2-diamine; 3-methyl-4-nitrobenzene-1,2-diamine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-4-nitrobenzene-1,2-diamine
Description:	3-Methyl-4-nitro-1,2-benzenediamine (CAS# 170918-27-1 ) is a useful research chemical.
Molecular Weight:	167.17
Molecular Formula:	C7H9N3O2
Canonical SMILES:	CC1=C(C=CC(=C1N)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H9N3O2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,8-9H2,1H3
InChI Key:	BPFCOFUHPWJOQR-UHFFFAOYSA-N
LogP:	2.75320

Publication Number	Title	Priority Date
CN-109608406-A	A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method	20190128
WO-2020155925-A1	Nitroalkyl quinoxaline or derivative thereof, aminoalkyl quinoxaline or derivative thereof, and synthesis method therefor	20190128
CN-108840827-A	The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof	20180918
CN-108341835-A	Boron-containing compound as tyrosine kinase inhibitor	20170122
EP-3131880-A1	Aryl and heteroaryl ether compounds as ror gamma modulators	20140416

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.069476538
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.069476538
Rotatable Bond Count:	0
Topological Polar Surface Area:	97.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8