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Dimethyldistearylammonium chloride

CAT: 0926-FD63004-01Size: 0.001 kgDry Ice: NoHazardous: No
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CAT#:0926-FD63004-01Size:0.001 kg
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CAS Number
107-64-2
Synonyms
Dimethyldioctadecylammonium Chloride
MDL Number
MFCD00055540
Smiles
CCCCCCCCCCCCCCCCCC[N+] (C) (C) CCCCCCCCCCCCCCCCCC.[Cl-]
Molecular Formula
C38H80ClN
Molecular Weight
586.5 g/mol
Controlled
No

Chemical Information

Distearyldimethylammonium chloride
CAS Number107-64-2
PubChem CID7879
IUPAC Namedimethyl(dioctadecyl)azanium chloride
Molecular FormulaC38H80ClN
Molecular Weight586.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count34
Heavy Atom Count40
Formal Charge0
Complexity390
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
InChI
InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChIKey
REZZEXDLIUJMMS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Distearyldimethylammonium chloride
CAS: 107-64-2
CID: 7879
Formula: C38H80ClN
MW: 586.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count34
Exact Mass585.5979293
Monoisotopic Mass585.5979293
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity390
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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