5-Methyl-1H-1,3-benzodiazol-2-amine - CAS 6285-68-3

Catalog:	BB031847
Product Name:	5-Methyl-1H-1,3-benzodiazol-2-amine
CAS:	6285-68-3
Synonyms:	6-methyl-1H-benzimidazol-2-amine; 6-methyl-1H-benzimidazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-1H-benzimidazol-2-amine
Description:	5-Methyl-1H-1,3-benzodiazol-2-amine (CAS# 6285-68-3) is a useful research chemical.
Molecular Weight:	147.18
Molecular Formula:	C8H9N3
Canonical SMILES:	CC1=CC2=C(C=C1)N=C(N2)N
InChI:	InChI=1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
InChI Key:	MZZZAWDOYQWKMR-UHFFFAOYSA-N
Boiling Point:	374.8 °C at 760 mmHg
Density:	1.295 g/cm³
MDL:	MFCD01658297
LogP:	2.03470

Publication Number	Title	Priority Date
US-2021128561-A1	MRGX Receptor Antagonists	20191031
US-10329298-B2	Inhibitors of cellular metabolic processes	20160831
US-2018079753-A1	Inhibitors of cellular metabolic processes	20160831
US-2019233424-A1	Inhibitors of cellular metabolic processes	20160831
WO-2018039972-A1	Inhibitors of cellular metabolic processes	20160831

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.079647300
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	147.079647300
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1