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Home > Nitro Compounds > 96724-45-7
96724-45-7 | 1-NITROSO-1-(2-HYDROXYETHYL)-3-ETHYLUREA
CAS No: 96724-45-7 Catalog No: AG005SVK MDL No:
Product Description
Catalog Number:
AG005SVK
Chemical Name:
1-NITROSO-1-(2-HYDROXYETHYL)-3-ETHYLUREA
CAS Number:
96724-45-7
Molecular Formula:
C5H11N3O3
Molecular Weight:
161.1591
IUPAC Name:
3-ethyl-1-(2-hydroxyethyl)-1-nitrosourea
InChI:
InChI=1S/C5H11N3O3/c1-2-6-5(10)8(7-11)3-4-9/h9H,2-4H2,1H3,(H,6,10)
InChI Key:
WOEOEFXOZUBXMR-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)NCC)N=O
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:
-0.3
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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