Home Nitros 1,3-Di-tert-butyl-5-methyl-5-nitro-1,3-diazinane

1,3-Di-tert-butyl-5-methyl-5-nitro-1,3-diazinane

CAS No.:
65478-96-8
Catalog Number:
AG01EWT0
Molecular Formula:
C13H27N3O2
Molecular Weight:
257.3724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
98%
1 week
United States
$364
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Product Description
Catalog Number:
AG01EWT0
Chemical Name:
1,3-Di-tert-butyl-5-methyl-5-nitro-1,3-diazinane
CAS Number:
65478-96-8
Molecular Formula:
C13H27N3O2
Molecular Weight:
257.3724
MDL Number:
MFCD00441899
IUPAC Name:
1,3-ditert-butyl-5-methyl-5-nitro-1,3-diazinane
InChI:
InChI=1S/C13H27N3O2/c1-11(2,3)14-8-13(7,16(17)18)9-15(10-14)12(4,5)6/h8-10H2,1-7H3
InChI Key:
XBARHICQDZOTFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(C)CN(CN(C1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.21g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.378g/mol
Monoisotopic Mass:
257.21g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties