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4164-31-2 | Dibutylnitramine
CAS No: 4164-31-2 Catalog No: AG0071MP MDL No:
Product Description
Catalog Number:
AG0071MP
Chemical Name:
Dibutylnitramine
CAS Number:
4164-31-2
Molecular Formula:
C8H18N2O2
Molecular Weight:
174.2407
IUPAC Name:
N,N-dibutylnitramide
InChI:
InChI=1S/C8H18N2O2/c1-3-5-7-9(10(11)12)8-6-4-2/h3-8H2,1-2H3
InChI Key:
IBFAEPSQNZNTBK-UHFFFAOYSA-N
SMILES:
CCCCN([N+](=O)[O-])CCCC
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.244g/mol
Monoisotopic Mass:
174.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Analysis of nitrosamines migration from condoms in the chinese market using a proper migration experiment. | Bulletin of environmental contamination and toxicology 20100401 |
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