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Hexadecyltrimethylammonium Bromide-d42

CAT: 0024-sc-490854Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490854Size:10 mg
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CAS Number
907216-28-8

Chemical Information

Hexadecyltrimethylammonium Bromide-d42
CAS Number907216-28-8
PubChem CID121494050
IUPAC Nametris(trideuteriomethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecyl)azanium bromide
Molecular FormulaC19H42BrN
Molecular Weight406.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity181
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-]
InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2;
InChIKey
LZZYPRNAOMGNLH-ZBNOAGFHSA-M
Chemical Structure
2D Structure
2D structure of Hexadecyltrimethylammonium Bromide-d42
CAS: 907216-28-8
CID: 121494050
Formula: C19H42BrN
MW: 406.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight406.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass405.51369
Monoisotopic Mass405.51369
Topological Polar Surface Area0 Ų
Heavy Atom Count21
Formal Charge0
Complexity181
Isotope Atom Count42
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes