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157097-58-0 | 1-Decanaminium, 10-carboxy-N-ethyl-N,N-dimethyl-, bromide (1:1)
CAS No: 157097-58-0 Catalog No: AG001P78 MDL No:
Product Description
Catalog Number:
AG001P78
Chemical Name:
1-Decanaminium, 10-carboxy-N-ethyl-N,N-dimethyl-, bromide (1:1)
CAS Number:
157097-58-0
Molecular Formula:
C15H32BrNO2
Molecular Weight:
338.3241
IUPAC Name:
10-carboxydecyl-ethyl-dimethylazanium;bromide
InChI:
InChI=1S/C15H31NO2.BrH/c1-4-16(2,3)14-12-10-8-6-5-7-9-11-13-15(17)18;/h4-14H2,1-3H3;1H
InChI Key:
RPXHOKXSOFPGPU-UHFFFAOYSA-N
SMILES:
CC[N+](CCCCCCCCCCC(=O)O)(C)C.[Br-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.33g/mol
Monoisotopic Mass:
337.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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