CAS 189-92-4 | Phenaleno[1,9-gh]quinoline | CAS Number 189-92-4

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189-92-4 | Phenaleno[1,9-gh]quinoline

CAS No: 189-92-4 Catalog No: AG002HOK MDL No:

Product Description

Catalog Number:

AG002HOK

Chemical Name:

Phenaleno[1,9-gh]quinoline

CAS Number:

189-92-4

Molecular Formula:

C19H11N

Molecular Weight:

253.2973

IUPAC Name:

pyreno[1,2-b]pyridine

InChI:

InChI=1S/C19H11N/c1-3-12-6-7-14-11-15-5-2-10-20-19(15)16-9-8-13(4-1)17(12)18(14)16/h1-11H

InChI Key:

BYFIUFNRSNKODH-UHFFFAOYSA-N

SMILES:

c1ccc2c(n1)c1ccc3c4c1c(c2)ccc4ccc3

Properties

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.304g/mol

Monoisotopic Mass:

253.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Nitrogen-substitution effect on in vivo mutagenicity of chrysene.	Mutation research 20050905
Metabolic activation of 10-aza-substituted benzo[a]pyrene by cytochrome P450 1A2 in human liver microsomes.	Mutation research 20040214
Effect of 10-aza-substitution on benzo[a]pyrene mutagenicity in vivo and in vitro.	Mutation research 20021126