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14919-37-0 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-, chloride (1:1)
CAS No: 14919-37-0 Catalog No: AG001LG2 MDL No:MFCD00063478
Product Description
Catalog Number:
AG001LG2
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-, chloride (1:1)
CAS Number:
14919-37-0
Molecular Formula:
C19H38ClNO4
Molecular Weight:
379.9623
MDL Number:
MFCD00063478
IUPAC Name:
(3-carboxy-2-dodecanoyloxypropyl)-trimethylazanium;chloride
InChI:
InChI=1S/C19H37NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4;/h17H,5-16H2,1-4H3;1H
InChI Key:
PDBBUDRTWRVCFN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OC(C[N+](C)(C)C)CC(=O)O.[Cl-]
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.249g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.966g/mol
Monoisotopic Mass:
379.249g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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