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132412-63-6 | 1-Hexadecanaminium, N-(2-hydroxybutyl)-N,N-dimethyl-, bromide (1:1)
CAS No: 132412-63-6 Catalog No: AG0010NY MDL No:
Product Description
Catalog Number:
AG0010NY
Chemical Name:
1-Hexadecanaminium, N-(2-hydroxybutyl)-N,N-dimethyl-, bromide (1:1)
CAS Number:
132412-63-6
Molecular Formula:
C22H48BrNO
Molecular Weight:
422.5266
IUPAC Name:
hexadecyl-(2-hydroxybutyl)-dimethylazanium;bromide
InChI:
InChI=1S/C22H48NO.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,4)21-22(24)6-2;/h22,24H,5-21H2,1-4H3;1H/q+1;/p-1
InChI Key:
HRIXWHFULUZTAG-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](CC(CC)O)(C)C.[Br-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.292g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.536g/mol
Monoisotopic Mass:
421.292g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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