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Home > Nitro Compounds > 96724-44-6
96724-44-6 | 1-NITROSO-1-ETHYL-3-(2-HYDROXYETHYL)UREA
CAS No: 96724-44-6 Catalog No: AG005SVL MDL No:
Product Description
Catalog Number:
AG005SVL
Chemical Name:
1-NITROSO-1-ETHYL-3-(2-HYDROXYETHYL)UREA
CAS Number:
96724-44-6
Molecular Formula:
C5H11N3O3
Molecular Weight:
161.1591
IUPAC Name:
1-ethyl-3-(2-hydroxyethyl)-1-nitrosourea
InChI:
InChI=1S/C5H11N3O3/c1-2-8(7-11)5(10)6-3-4-9/h9H,2-4H2,1H3,(H,6,10)
InChI Key:
RXXXJEQCRPLSOQ-UHFFFAOYSA-N
SMILES:
OCCNC(=O)N(N=O)CC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.161g/mol
Monoisotopic Mass:
161.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Similar carcinogenic effects in rats of 1-ethyl-1-nitroso-3-hydroxyethylurea and 1-hydroxyethyl-1-nitroso-3-ethylurea. | Carcinogenesis 19850401 |
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