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3182-75-0 | N-Nitro-1-butanamine
CAS No: 3182-75-0 Catalog No: AG01FFL6 MDL No:
Product Description
Catalog Number:
AG01FFL6
Chemical Name:
N-Nitro-1-butanamine
CAS Number:
3182-75-0
Molecular Formula:
C4H10N2O2
Molecular Weight:
118.1344
IUPAC Name:
N-butylnitramide
InChI:
InChI=1S/C4H10N2O2/c1-2-3-4-5-6(7)8/h5H,2-4H2,1H3
InChI Key:
FCLOSAGZCUDMFV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NCCCC
Properties
Complexity:
68.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.074g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.136g/mol
Monoisotopic Mass:
118.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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