200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 17596-49-5
17596-49-5 | Benzamide, 3,5-dinitro-N-(1-piperidinylmethyl)-
CAS No: 17596-49-5 Catalog No: AG0021BR MDL No:
Product Description
Catalog Number:
AG0021BR
Chemical Name:
Benzamide, 3,5-dinitro-N-(1-piperidinylmethyl)-
CAS Number:
17596-49-5
Molecular Formula:
C13H16N4O5
Molecular Weight:
308.2899
IUPAC Name:
3,5-dinitro-N-(piperidin-1-ylmethyl)benzamide
InChI:
InChI=1S/C13H16N4O5/c18-13(14-9-15-4-2-1-3-5-15)10-6-11(16(19)20)8-12(7-10)17(21)22/h6-8H,1-5,9H2,(H,14,18)
InChI Key:
URUNQBMFACBETH-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NCN1CCCCC1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.294g/mol
Monoisotopic Mass:
308.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.