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Home > Nitro Compounds > 65478-96-8
65478-96-8 | 1,3-Di-tert-butyl-5-methyl-5-nitro-1,3-diazinane
CAS No: 65478-96-8 Catalog No: AG01EWT0 MDL No:MFCD00441899
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
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