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Home > Nitro Compounds > 7447-59-8
7447-59-8 | 1-nitroso-1-tridecylurea
CAS No: 7447-59-8 Catalog No: AG005BDI MDL No:
Product Description
Catalog Number:
AG005BDI
Chemical Name:
1-nitroso-1-tridecylurea
CAS Number:
7447-59-8
Molecular Formula:
C14H29N3O2
Molecular Weight:
271.3990
IUPAC Name:
N-ethyl-N-phenylhydroxylamine
InChI:
InChI=1S/C8H11NO/c1-2-9(10)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3
InChI Key:
MSILLSJAIFXEKY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCN(C(=O)N)N=O
EC Number:
231-213-9
Properties
Complexity:
89.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Comparative molecular field analysis of substrates for an aryl sulfotransferase based on catalytic mechanism and protein homology modeling. | Journal of medicinal chemistry 20021205 |
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