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DLin-KC2-DMA 200mg

CAT: 0628-A18370-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A18370-200Size:200 mg
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CAS Number
1190197-97-7

Chemical Information

DLin-KC2-DMA
CAS Number1190197-97-7
PubChem CID44464860
IUPAC Name2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
Molecular FormulaC43H79NO2
Molecular Weight642.1
XLogP15.7
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count33
Heavy Atom Count46
Formal Charge0
Complexity704
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCC1(OC(CO1)CCN(C)C)CCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H79NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-43(45-41-42(46-43)37-40-44(3)4)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,42H,5-12,17-18,23-41H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKey
LRFJOIPOPUJUMI-KWXKLSQISA-N
Chemical Structure
2D Structure
2D structure of DLin-KC2-DMA
CAS: 1190197-97-7
CID: 44464860
Formula: C43H79NO2
MW: 642.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.1
XLogP315.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count33
Exact Mass641.61108076
Monoisotopic Mass641.61108076
Topological Polar Surface Area21.7 Ų
Heavy Atom Count46
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA7863-1DLin-KC2-DMA
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