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Home > Nitro Compounds > 1664-31-9
1664-31-9 | Benzamide, 4-nitro-N-[2-(1-piperidinyl)ethyl]-
CAS No: 1664-31-9 Catalog No: AG001WP9 MDL No:MFCD00503226
Product Description
Catalog Number:
AG001WP9
Chemical Name:
Benzamide, 4-nitro-N-[2-(1-piperidinyl)ethyl]-
CAS Number:
1664-31-9
Molecular Formula:
C14H19N3O3
Molecular Weight:
277.3190
MDL Number:
MFCD00503226
IUPAC Name:
4-nitro-N-(2-piperidin-1-ylethyl)benzamide
InChI:
InChI=1S/C14H19N3O3/c18-14(12-4-6-13(7-5-12)17(19)20)15-8-11-16-9-2-1-3-10-16/h4-7H,1-3,8-11H2,(H,15,18)
InChI Key:
OLFLFCAHZFGBNS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NCCN1CCCCC1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.324g/mol
Monoisotopic Mass:
277.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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