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Tributylmethylammonium methyl sulfate

CAT: 0926-NAA10624-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-NAA10624-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13106-24-6
MDL Number
MFCD06798174
Smiles
CCCC[N+] (C) (CCCC) CCCC.COS (=O) (=O) [O-]
Molecular Formula
C14H33NO4S
Molecular Weight
311.48 g/mol
Controlled
No

Chemical Information

Tributylmethylammonium methyl sulfate
CAS Number13106-24-6
PubChem CID11045164
IUPAC Namemethyl sulfate;tributyl(methyl)azanium
Molecular FormulaC14H33NO4S
Molecular Weight311.48
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count20
Formal Charge0
Complexity189
SMILES
CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
InChI
InChI=1S/C13H30N.CH4O4S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
FIMHASWLGDDANN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tributylmethylammonium methyl sulfate
CAS: 13106-24-6
CID: 11045164
Formula: C14H33NO4S
MW: 311.48
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight311.48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass311.21302971
Monoisotopic Mass311.21302971
Topological Polar Surface Area74.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity189
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