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82857-84-9 | 1-Dodecanaminium, N-(3-hydroxypropyl)-N,N-dimethyl-, bromide
CAS No: 82857-84-9 Catalog No: AG004WJS MDL No:
Product Description
Catalog Number:
AG004WJS
Chemical Name:
1-Dodecanaminium, N-(3-hydroxypropyl)-N,N-dimethyl-, bromide
CAS Number:
82857-84-9
Molecular Formula:
C17H38BrNO
Molecular Weight:
352.3937
IUPAC Name:
dodecyl-(3-hydroxypropyl)-dimethylazanium;bromide
InChI:
InChI=1S/C17H38NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-19;/h19H,4-17H2,1-3H3;1H/q+1;/p-1
InChI Key:
DHOGNIQVFFDIFL-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](CCCO)(C)C.[Br-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.401g/mol
Monoisotopic Mass:
351.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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