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138194-91-9 | 1-Decanaminium, N-decyl-N,N-dimethyl-, propanoate (1:1)
CAS No: 138194-91-9 Catalog No: AG00186B MDL No:
Product Description
Catalog Number:
AG00186B
Chemical Name:
1-Decanaminium, N-decyl-N,N-dimethyl-, propanoate (1:1)
CAS Number:
138194-91-9
Molecular Formula:
C25H53NO2
Molecular Weight:
399.6938
IUPAC Name:
didecyl(dimethyl)azanium;propanoate
InChI:
InChI=1S/C22H48N.C3H6O2/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;1-2-3(4)5/h5-22H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChI Key:
DYICNTACFPXWKO-UHFFFAOYSA-M
SMILES:
CCC(=O)[O-].CCCCCCCCCC[N+](CCCCCCCCCC)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.408g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.704g/mol
Monoisotopic Mass:
399.408g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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