CAS 53348-04-2 | Phenanthrene-9,10-diamine | CAS Number 53348-04-2

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53348-04-2 | Phenanthrene-9,10-diamine

CAS No: 53348-04-2 Catalog No: AG003NJG MDL No:MFCD00001178

Product Description

Catalog Number:

AG003NJG

Chemical Name:

Phenanthrene-9,10-diamine

CAS Number:

53348-04-2

Molecular Formula:

C14H12N2

Molecular Weight:

208.2585

MDL Number:

MFCD00001178

IUPAC Name:

phenanthrene-9,10-diamine

InChI:

InChI=1S/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2

InChI Key:

VPRFQZSTJXHBHL-UHFFFAOYSA-N

SMILES:

Nc1c(N)c2ccccc2c2c1cccc2

EC Number:

258-490-9

NSC Number:

80191

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.264g/mol

Monoisotopic Mass:

208.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Parallel screening of homogeneous copper catalysts for the oxidation of benzylic alcohols with molecular oxygen in aqueous solutions.	Journal of combinatorial chemistry 20040101