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Home > Nitro Compounds > 300397-67-5
300397-67-5 | 1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane
CAS No: 300397-67-5 Catalog No: AG01EUQA MDL No:MFCD00959067
Product Description
Catalog Number:
AG01EUQA
Chemical Name:
1,3-Di-tert-butyl-5-nitro-5-phenyl-1,3-diazinane
CAS Number:
300397-67-5
Molecular Formula:
C18H29N3O2
Molecular Weight:
319.4418
MDL Number:
MFCD00959067
IUPAC Name:
1,3-ditert-butyl-5-nitro-5-phenyl-1,3-diazinane
InChI:
InChI=1S/C18H29N3O2/c1-16(2,3)19-12-18(21(22)23,15-10-8-7-9-11-15)13-20(14-19)17(4,5)6/h7-11H,12-14H2,1-6H3
InChI Key:
XWIOOOAOFOVNMK-UHFFFAOYSA-N
SMILES:
CC(N1CN(CC(C1)([N+](=O)[O-])c1ccccc1)C(C)(C)C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.449g/mol
Monoisotopic Mass:
319.226g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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