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101517-06-0 | Guanidine, N-dodecyl-N'-nitro- (9CI)
CAS No: 101517-06-0 Catalog No: AG0004OS MDL No:
Product Description
Catalog Number:
AG0004OS
Chemical Name:
Guanidine, N-dodecyl-N'-nitro- (9CI)
CAS Number:
101517-06-0
Molecular Formula:
C13H28N4O2
Molecular Weight:
272.3870
IUPAC Name:
2-dodecyl-1-nitroguanidine
InChI:
InChI=1S/C13H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17(18)19/h2-12H2,1H3,(H3,14,15,16)
InChI Key:
WSWZXMIHHIYAMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=N)N[N+](=O)[O-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.221g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.393g/mol
Monoisotopic Mass:
272.221g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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