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Home > Nitro Compounds > 74940-27-5
74940-27-5 | N-BUTYL-N-(HYDROPEROXYMETHYL)NITROUS AMIDE
CAS No: 74940-27-5 Catalog No: AG005S4A MDL No:
Product Description
Catalog Number:
AG005S4A
Chemical Name:
N-BUTYL-N-(HYDROPEROXYMETHYL)NITROUS AMIDE
CAS Number:
74940-27-5
Molecular Formula:
C5H12N2O3
Molecular Weight:
148.1604
IUPAC Name:
N-butyl-N-(hydroperoxymethyl)nitrous amide
InChI:
InChI=1S/C5H12N2O3/c1-2-3-4-7(6-8)5-10-9/h9H,2-5H2,1H3
InChI Key:
BHWLDZINDUWAPE-UHFFFAOYSA-N
SMILES:
CCCCN(COO)N=O
Properties
Complexity:
89
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.085g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.162g/mol
Monoisotopic Mass:
148.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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