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5350-75-4

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Basic Information
CAS No.: 5350-75-4
Name: Benzyl tripropyl ammonium bromide
Molecular Structure:
Molecular Structure of 5350-75-4 (Benzyl tripropyl ammonium bromide)
Formula: C16H28BrN
Molecular Weight: 314.309
Synonyms: Benzenemethanaminium,N,N,N-tripropyl-, bromide (9CI);Benzyltripropylammonium bromide;
PSA: 0.00000
LogP: 1.23740
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Specification

The Benzenemethanaminium, N, N, N-tripropyl-, bromide (1:1), with the CAS registry number 5350-75-4, is also known as Benzyl tripropyl ammonium bromide. This chemical's molecular formula is C16H28BrN and molecular weight is 314.30422. What's more, its IUPAC name is Benzyl(tripropyl)azanium bromide.

Physical properties about Benzenemethanaminium, N, N, N-tripropyl-, bromide (1:1) are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 8; (4)Exact Mass: 313.140513; (5)MonoIsotopic Mass: 313.140513; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 18; (8)Formal Charge: 0; (9)Complexity: 165; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].CCC[N+](CCC)(Cc1ccccc1)CCC
(2) InChI: InChI=1/C16H28N.BrH/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;1H/q+1;/p-1
(3) InChIKey: OSPKGDDLQQVQSG-REWHXWOFAU