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100783-71-9 | Benzenemethanaminium, N,N,N-tripropyl-
CAS No: 100783-71-9 Catalog No: AG0002V2 MDL No:
Product Description
Catalog Number:
AG0002V2
Chemical Name:
Benzenemethanaminium, N,N,N-tripropyl-
CAS Number:
100783-71-9
Molecular Formula:
C16H28N+
Molecular Weight:
234.4002
IUPAC Name:
benzyl(tripropyl)azanium
InChI:
InChI=1S/C16H28N/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3/q+1
InChI Key:
BCCDCNCWUHICFM-UHFFFAOYSA-N
SMILES:
CCC[N+](Cc1ccccc1)(CCC)CCC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.222g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.407g/mol
Monoisotopic Mass:
234.222g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Benzyltripropylammonium bromide: a structure in polar space group P4(2)bc. | Acta crystallographica. Section C, Crystal structure communications 20031001 |
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