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119247-17-5

119247-17-5 | Pyridinium, 4-(aminocarbonyl)-1-[2-(hexadecyloxy)-2-oxoethyl]-, chloride (1:1)

CAS No: 119247-17-5 Catalog No: AG000IG1 MDL No:

Product Description

Catalog Number:
AG000IG1
Chemical Name:
Pyridinium, 4-(aminocarbonyl)-1-[2-(hexadecyloxy)-2-oxoethyl]-, chloride (1:1)
CAS Number:
119247-17-5
Molecular Formula:
C24H41ClN2O3
Molecular Weight:
441.0469
IUPAC Name:
hexadecyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate;chloride
InChI:
InChI=1S/C24H40N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-23(27)21-26-18-16-22(17-19-26)24(25)28;/h16-19H,2-15,20-21H2,1H3,(H-,25,28);1H
InChI Key:
IWDADVFHDGVEPU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)C[n+]1ccc(cc1)C(=O)N.[Cl-]
NSC Number:
141899

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.281g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
441.053g/mol
Monoisotopic Mass:
440.281g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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