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28837-32-3

28837-32-3 | 1-Hexadecanaminium, 16-ethoxy-N,N,N-trimethyl-16-oxo-, bromide (1:1)

CAS No: 28837-32-3 Catalog No: AG002WPD MDL No:

Product Description

Catalog Number:
AG002WPD
Chemical Name:
1-Hexadecanaminium, 16-ethoxy-N,N,N-trimethyl-16-oxo-, bromide (1:1)
CAS Number:
28837-32-3
Molecular Formula:
C21H44BrNO2
Molecular Weight:
422.4836
IUPAC Name:
(16-ethoxy-16-oxohexadecyl)-trimethylazanium;bromide
InChI:
InChI=1S/C21H44NO2.BrH/c1-5-24-21(23)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChI Key:
MQMMFYVYUYQRKN-UHFFFAOYSA-M
SMILES:
CCOC(=O)CCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.256g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.492g/mol
Monoisotopic Mass:
421.256g/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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