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124110-19-6 | Pyridinium, 3-[(dimethylamino)carbonyl]-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)
CAS No: 124110-19-6 Catalog No: AG000LKM MDL No:
Product Description
Catalog Number:
AG000LKM
Chemical Name:
Pyridinium, 3-[(dimethylamino)carbonyl]-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)
CAS Number:
124110-19-6
Molecular Formula:
C22H38ClN3O2
Molecular Weight:
412.0090
IUPAC Name:
1-[2-(dodecylamino)-2-oxoethyl]-N,N-dimethylpyridin-1-ium-3-carboxamide;chloride
InChI:
InChI=1S/C22H37N3O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-23-21(26)19-25-17-14-15-20(18-25)22(27)24(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H
InChI Key:
TVLNYLXINGWNLD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)C[n+]1cccc(c1)C(=O)N(C)C.[Cl-]
NSC Number:
141889
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.265g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.015g/mol
Monoisotopic Mass:
411.265g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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