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119273-47-1 | [1,1'-Biphenyl]-4-amine, N-(acetyloxy)-
CAS No: 119273-47-1 Catalog No: AG000II2 MDL No:
Product Description
Catalog Number:
AG000II2
Chemical Name:
[1,1'-Biphenyl]-4-amine, N-(acetyloxy)-
CAS Number:
119273-47-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
(4-phenylanilino) acetate
InChI:
InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3
InChI Key:
NRUZSSFWZUVQMS-UHFFFAOYSA-N
SMILES:
CC(=O)ONc1ccc(cc1)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Identification of new DNA adducts in human bladder epithelia exposed to the proximate metabolite of 4-aminobiphenyl using 32P-postlabeling method. | Chemico-biological interactions 20020220 |
| Identification of N-(deoxyguanosin-8-yl)-4-azobiphenyl by (32)P-postlabeling analyses of DNA in human uroepithelial cells exposed to proximate metabolites of the environmental carcinogen 4-aminobiphenyl. | Environmental and molecular mutagenesis 20020101 |
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