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Home Aminos 9,10-Diaminophenanthrene

9,10-Diaminophenanthrene

CAS No.:
53348-04-2
Catalog Number:
AG003NJG
Molecular Formula:
C14H12N2
Molecular Weight:
208.2585
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Product Description
Catalog Number:
AG003NJG
Chemical Name:
9,10-Diaminophenanthrene
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.264g/mol
Monoisotopic Mass:
208.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties