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2520-50-5 | Pyridinium, 3-(aminocarbonyl)-1-octyl-, chloride (1:1)
CAS No: 2520-50-5 Catalog No: AG002QVT MDL No:
Product Description
Catalog Number:
AG002QVT
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-1-octyl-, chloride (1:1)
CAS Number:
2520-50-5
Molecular Formula:
C14H23ClN2O
Molecular Weight:
270.7982
IUPAC Name:
1-octylpyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C14H22N2O.ClH/c1-2-3-4-5-6-7-10-16-11-8-9-13(12-16)14(15)17;/h8-9,11-12H,2-7,10H2,1H3,(H-,15,17);1H
InChI Key:
YGXFHUZLEHXACS-UHFFFAOYSA-N
SMILES:
CCCCCCCC[n+]1cccc(c1)C(=O)N.[Cl-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.801g/mol
Monoisotopic Mass:
270.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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