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Home > Nitro Compounds > 89280-42-2
89280-42-2 | 3-(2-cyanoethyl)-1-methyl-1-nitrosourea
CAS No: 89280-42-2 Catalog No: AG0040R8 MDL No:
Product Description
Catalog Number:
AG0040R8
Chemical Name:
3-(2-cyanoethyl)-1-methyl-1-nitrosourea
CAS Number:
89280-42-2
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
IUPAC Name:
3-(2-cyanoethyl)-1-methyl-1-nitrosourea
InChI:
InChI=1S/C5H8N4O2/c1-9(8-11)5(10)7-4-2-3-6/h2,4H2,1H3,(H,7,10)
InChI Key:
KAHNHXVMFBULCU-UHFFFAOYSA-N
SMILES:
CN(C(=O)NCCC#N)N=O
NSC Number:
72524
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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