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876516-13-1 | 1-Decanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, propanoate
CAS No: 876516-13-1 Catalog No: AG004O1V MDL No:
Product Description
Catalog Number:
AG004O1V
Chemical Name:
1-Decanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, propanoate
CAS Number:
876516-13-1
Molecular Formula:
C17H37NO3
Molecular Weight:
303.4806
IUPAC Name:
decyl-(2-hydroxyethyl)-dimethylazanium;propanoate
InChI:
InChI=1S/C14H32NO.C3H6O2/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14-16;1-2-3(4)5/h16H,4-14H2,1-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChI Key:
KYQDMNLSJMSYCX-UHFFFAOYSA-M
SMILES:
CCC(=O)[O-].CCCCCCCCCC[N+](CCO)(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.277g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.487g/mol
Monoisotopic Mass:
303.277g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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