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80858-89-5 | 4-[nitroso(propyl)amino]butan-2-ol
CAS No: 80858-89-5 Catalog No: AG0057KY MDL No:
Product Description
Catalog Number:
AG0057KY
Chemical Name:
4-[nitroso(propyl)amino]butan-2-ol
CAS Number:
80858-89-5
Molecular Formula:
C7H16N2O2
Molecular Weight:
160.2141
IUPAC Name:
N-(3-hydroxybutyl)-N-propylnitrous amide
InChI:
InChI=1S/C7H16N2O2/c1-3-5-9(8-11)6-4-7(2)10/h7,10H,3-6H2,1-2H3
InChI Key:
FSIOELTZOLUMCG-UHFFFAOYSA-N
SMILES:
CCCN(CCC(O)C)N=O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.121g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.217g/mol
Monoisotopic Mass:
160.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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