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Tetrapropylammonium chloride

CAT: 0127-OR72854-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR72854-01Size:1 g
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CAS Number
5810-42-4
MDL Number
MFCD00038729
Purity
97%
Smiles
CCC[N+] (CCC) (CCC) CCC.[Cl-]

Chemical Information

Tetrapropylammonium chloride
CAS Number5810-42-4
PubChem CID79880
IUPAC Nametetrapropylazanium chloride
Molecular FormulaC12H28ClN
Molecular Weight221.81
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity80
SMILES
CCC[N+](CCC)(CCC)CCC.[Cl-]
InChI
InChI=1S/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKey
FBEVECUEMUUFKM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrapropylammonium chloride
CAS: 5810-42-4
CID: 79880
Formula: C12H28ClN
MW: 221.81
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight221.81
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass221.1910276
Monoisotopic Mass221.1910276
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity80.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes