200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 81340-16-1
81340-16-1 | Pyrimidine, hexahydro-5-methyl-1,3,5-trinitro-
CAS No: 81340-16-1 Catalog No: AG005L2M MDL No:
Product Description
Catalog Number:
AG005L2M
Chemical Name:
Pyrimidine, hexahydro-5-methyl-1,3,5-trinitro-
CAS Number:
81340-16-1
Molecular Formula:
C5H9N5O6
Molecular Weight:
235.1549
IUPAC Name:
5-methyl-1,3,5-trinitro-1,3-diazinane
InChI:
InChI=1S/C5H9N5O6/c1-5(8(11)12)2-6(9(13)14)4-7(3-5)10(15)16/h2-4H2,1H3
InChI Key:
YBXNCONALCRGOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CN(CC(C1)(C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.156g/mol
Monoisotopic Mass:
235.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.