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119251-12-6 | Pyridinium, 1-[2-(dodecylamino)-2-oxoethyl]-3-[(phenylamino)carbonyl]-, chloride (1:1)
CAS No: 119251-12-6 Catalog No: AG000IFY MDL No:
Product Description
Catalog Number:
AG000IFY
Chemical Name:
Pyridinium, 1-[2-(dodecylamino)-2-oxoethyl]-3-[(phenylamino)carbonyl]-, chloride (1:1)
CAS Number:
119251-12-6
Molecular Formula:
C26H38ClN3O2
Molecular Weight:
460.0518
IUPAC Name:
1-[2-(dodecylamino)-2-oxoethyl]-N-phenylpyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C26H37N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-14-19-27-25(30)22-29-20-15-16-23(21-29)26(31)28-24-17-12-11-13-18-24;/h11-13,15-18,20-21H,2-10,14,19,22H2,1H3,(H-,27,28,30,31);1H
InChI Key:
WRDWITYIDDNBMG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C[n+]1cccc(c1)C(=O)Nc1ccccc1.[Cl-]
NSC Number:
141116
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.265g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
460.059g/mol
Monoisotopic Mass:
459.265g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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