1,5-Dimethyl-4-nitroimidazole - CAS 7464-68-8

Catalog:	BB035124
Product Name:	1,5-Dimethyl-4-nitroimidazole
CAS:	7464-68-8
Synonyms:	1,5-dimethyl-4-nitroimidazole; 1,5-dimethyl-4-nitroimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1,5-dimethyl-4-nitroimidazole
Description:	1,5-Dimethyl-4-nitroimidazole (CAS# 7464-68-8) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CC1=C(N=CN1C)[N+](=O)[O-]
InChI:	InChI=1S/C5H7N3O2/c1-4-5(8(9)10)6-3-7(4)2/h3H,1-2H3
InChI Key:	ULEIQLOXYAULFE-UHFFFAOYSA-N
Boiling Point:	323 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	1.15990

Publication Number	Title	Priority Date
AU-2010290199-A1	Kinase inhibitors, prodrug forms thereof and their use in therapy	20090902
CA-2771016-A1	Kinase inhibitors, prodrug forms thereof and their use in therapy	20090902
CN-102574846-B	Kinase inhibitors, prodrug forms thereof and their use in therapy	20090902
CN-104496982-A	Kinase Inhibitors, Prodrug Forms Thereof And Their Use In Therapy	20090902
EP-2473509-A1	Kinase inhibitors, prodrug forms thereof and their use in therapy	20090902

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1