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110499-10-0 | N'-tert-butyl-N-nitroguanidine
CAS No: 110499-10-0 Catalog No: AG01DXET MDL No:MFCD31617468
Product Description
Catalog Number:
AG01DXET
Chemical Name:
N'-tert-butyl-N-nitroguanidine
CAS Number:
110499-10-0
Molecular Formula:
C5H12N4O2
Molecular Weight:
160.1744
MDL Number:
MFCD31617468
IUPAC Name:
2-tert-butyl-1-nitroguanidine
InChI:
InChI=1S/C5H12N4O2/c1-5(2,3)7-4(6)8-9(10)11/h1-3H3,(H3,6,7,8)
InChI Key:
RFCRYSVMXFATCK-UHFFFAOYSA-N
SMILES:
N=C(NC(C)(C)C)N[N+](=O)[O-]
NSC Number:
206151
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.096g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.177g/mol
Monoisotopic Mass:
160.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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