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Lupinine, acrylate (ester)

CAT: 0931-T32974-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T32974-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60537-74-8
Target
Others
Related Pathways
Others
Bioactivity
Lupinine, acrylate (ester) is a Drug / Therapeutic Agent.
Smiles
C(OC(C=C)=O)[C@H]1[C@@]2(N(CCC1)CCCC2)[H]
Molecular Formula
C13H21NO2
Molecular Weight
223.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lupinine, acrylate (ester)
CAS Number60537-74-8
PubChem CID155509
IUPAC Name[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl prop-2-enoate
Molecular FormulaC13H21NO2
Molecular Weight223.31
XLogP2.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity265
SMILES
C=CC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
InChI
InChI=1S/C13H21NO2/c1-2-13(15)16-10-11-6-5-9-14-8-4-3-7-12(11)14/h2,11-12H,1,3-10H2/t11-,12+/m0/s1
InChIKey
AFHWXJWAWBDGFQ-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of Lupinine, acrylate (ester)
CAS: 60537-74-8
CID: 155509
Formula: C13H21NO2
MW: 223.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.31
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass223.157228913
Monoisotopic Mass223.157228913
Topological Polar Surface Area29.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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