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113402-34-9 | 1-Decanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, bromide (1:1)
CAS No: 113402-34-9 Catalog No: AG0008GN MDL No:
Product Description
Catalog Number:
AG0008GN
Chemical Name:
1-Decanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, bromide (1:1)
CAS Number:
113402-34-9
Molecular Formula:
C15H34BrNO2
Molecular Weight:
340.3400
IUPAC Name:
decyl-bis(2-hydroxyethyl)-methylazanium;bromide
InChI:
InChI=1S/C15H34NO2.BrH/c1-3-4-5-6-7-8-9-10-11-16(2,12-14-17)13-15-18;/h17-18H,3-15H2,1-2H3;1H/q+1;/p-1
InChI Key:
ULOMEYHCTBRGAQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[N+](CCO)(CCO)C.[Br-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.177g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.346g/mol
Monoisotopic Mass:
339.177g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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