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114329-10-1 | Pyridinium, 4-(aminocarbonyl)-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)
CAS No: 114329-10-1 Catalog No: AG000B3D MDL No:
Product Description
Catalog Number:
AG000B3D
Chemical Name:
Pyridinium, 4-(aminocarbonyl)-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)
CAS Number:
114329-10-1
Molecular Formula:
C20H34ClN3O2
Molecular Weight:
383.9559
IUPAC Name:
1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium-4-carboxamide;chloride
InChI:
InChI=1S/C20H33N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(24)17-23-15-12-18(13-16-23)20(21)25;/h12-13,15-16H,2-11,14,17H2,1H3,(H2-,21,22,24,25);1H
InChI Key:
HHXZUMQXGBIBJN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C[n+]1ccc(cc1)C(=O)N.[Cl-]
NSC Number:
141292
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.234g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.961g/mol
Monoisotopic Mass:
383.234g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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