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Tetraamylammonium bromide

CAT: 0127-OR72825-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR72825-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
866-97-7
MDL Number
MFCD00011856
Purity
98%
Smiles
CCCCC[N+] (CCCCC) (CCCCC) CCCCC.[Br-]

Chemical Information

Tetrapentylammonium bromide
CAS Number866-97-7
PubChem CID70086
IUPAC Nametetrapentylazanium bromide
Molecular FormulaC20H44BrN
Molecular Weight378.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity155
SMILES
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]
InChI
InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
SPALIFXDWQTXKS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrapentylammonium bromide
CAS: 866-97-7
CID: 70086
Formula: C20H44BrN
MW: 378.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight378.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass377.26571
Monoisotopic Mass377.26571
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity155
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