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DLin-K-C3-DMA

CAT: 0607-BA7892-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7892-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217306-46-1
Form
A liquid
Molecular Formula
C44H81NO2
Molecular Weight
656.12
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

DLin-K-C3-DMA
CAS Number1217306-46-1
PubChem CID58473224
IUPAC Name3-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylpropan-1-amine
Molecular FormulaC44H81NO2
Molecular Weight656.1
XLogP16
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count34
Heavy Atom Count47
Formal Charge0
Complexity719
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCC1(OC(CO1)CCCN(C)C)CCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H81NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-44(46-42-43(47-44)38-37-41-45(3)4)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,43H,5-12,17-18,23-42H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKey
HNTKPUXXCNQLFR-KWXKLSQISA-N
Chemical Structure
2D Structure
2D structure of DLin-K-C3-DMA
CAS: 1217306-46-1
CID: 58473224
Formula: C44H81NO2
MW: 656.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.1
XLogP316
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count34
Exact Mass655.62673083
Monoisotopic Mass655.62673083
Topological Polar Surface Area21.7 Ų
Heavy Atom Count47
Formal Charge0
Complexity719
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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