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102719-66-4 | 1-Tetradecanaminium, N-[2-(benzoyloxy)ethyl]-N,N-dimethyl-, bromide (1:1)
CAS No: 102719-66-4 Catalog No: AG00087I MDL No:
Product Description
Catalog Number:
AG00087I
Chemical Name:
1-Tetradecanaminium, N-[2-(benzoyloxy)ethyl]-N,N-dimethyl-, bromide (1:1)
CAS Number:
102719-66-4
Molecular Formula:
C25H44BrNO2
Molecular Weight:
470.5264
IUPAC Name:
2-benzoyloxyethyl-dimethyl-tetradecylazanium;bromide
InChI:
InChI=1S/C25H44NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-26(2,3)22-23-28-25(27)24-19-16-15-17-20-24;/h15-17,19-20H,4-14,18,21-23H2,1-3H3;1H/q+1;/p-1
InChI Key:
GKZOPMFPTLHTEZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[N+](CCOC(=O)c1ccccc1)(C)C.[Br-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.256g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.536g/mol
Monoisotopic Mass:
469.256g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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