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14919-38-1 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxotetradecyl)oxy]-, chloride (1:1)
CAS No: 14919-38-1 Catalog No: AG001LG1 MDL No:
Product Description
Catalog Number:
AG001LG1
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxotetradecyl)oxy]-, chloride (1:1)
CAS Number:
14919-38-1
Molecular Formula:
C21H42ClNO4
Molecular Weight:
408.0155
IUPAC Name:
(3-carboxy-2-tetradecanoyloxypropyl)-trimethylazanium;chloride
InChI:
InChI=1S/C21H41NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4;/h19H,5-18H2,1-4H3;1H
InChI Key:
TWGWHMYOGIGWDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OC(C[N+](C)(C)C)CC(=O)O.[Cl-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.28g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.02g/mol
Monoisotopic Mass:
407.28g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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