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114451-10-4 | 6-Chrysenamine, N-hydroxy-
CAS No: 114451-10-4 Catalog No: AG000EFN MDL No:
Product Description
Catalog Number:
AG000EFN
Chemical Name:
6-Chrysenamine, N-hydroxy-
CAS Number:
114451-10-4
Molecular Formula:
C18H13NO
Molecular Weight:
259.3019
IUPAC Name:
N-chrysen-6-ylhydroxylamine
InChI:
InChI=1S/C18H13NO/c20-19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19-20H
InChI Key:
DDEXKYQWZJEPRX-UHFFFAOYSA-N
SMILES:
ONc1cc2c(c3c1cccc3)ccc1c2cccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.308g/mol
Monoisotopic Mass:
259.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Inefficient nucleotide excision repair in human cell extracts of the N-(deoxyguanosin-8-yl)-6-aminochrysene and 5-(deoxyguanosin-N(2)-yl)-6-aminochrysene adducts derived from 6-nitrochrysene. | Chemical research in toxicology 20110114 |
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