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Trimethylethylammonium bromide

CAT: 0926-CAA65077-04Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-CAA65077-04Size:10 g
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CAS Number
2650-77-3
Smiles
CC[N+] (C) (C) C.[Br-]
Molecular Formula
C5H14BrN
Molecular Weight
168.08 g/mol
Controlled
No

Chemical Information

Trimethylethylammonium bromide
CAS Number2650-77-3
PubChem CID75856
IUPAC Nameethyl(trimethyl)azanium bromide
Molecular FormulaC5H14BrN
Molecular Weight168.08
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity33
SMILES
CC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C5H14N.BrH/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
InChIKey
UMSGVWVBUHUHEH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Trimethylethylammonium bromide
CAS: 2650-77-3
CID: 75856
Formula: C5H14BrN
MW: 168.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.08
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass167.03096
Monoisotopic Mass167.03096
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity33.7
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

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