CAS 156243-39-9 | 1H-Imidazo[4,5-g]quinoxalin-2-amine, 1,7,9-trimethyl- | CAS Number 156243-39-9

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156243-39-9 | 1H-Imidazo[4,5-g]quinoxalin-2-amine, 1,7,9-trimethyl-

CAS No: 156243-39-9 Catalog No: AG001OMM MDL No:

Product Description

Catalog Number:

AG001OMM

Chemical Name:

1H-Imidazo[4,5-g]quinoxalin-2-amine, 1,7,9-trimethyl-

CAS Number:

156243-39-9

Molecular Formula:

C12H13N5

Molecular Weight:

227.2651

IUPAC Name:

3,4,6-trimethylimidazo[4,5-g]quinoxalin-2-amine

InChI:

InChI=1S/C12H13N5/c1-6-5-14-8-4-9-11(7(2)10(8)15-6)17(3)12(13)16-9/h4-5H,1-3H3,(H2,13,16)

InChI Key:

ZSISUTCDDLFJLH-UHFFFAOYSA-N

SMILES:

Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N

Properties

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.271g/mol

Monoisotopic Mass:

227.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Quantitation of 13 heterocyclic aromatic amines in cooked beef, pork, and chicken by liquid chromatography-electrospray ionization/tandem mass spectrometry.	Journal of agricultural and food chemistry 20080109
Quantitation of carcinogenic heterocyclic aromatic amines and detection of novel heterocyclic aromatic amines in cooked meats and grill scrapings by HPLC/ESI-MS.	Journal of agricultural and food chemistry 20050420