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Rac-Cytisine

CAT: 1596-AR-C08995-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08995-01Size:10 Units
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CAS Number
15191-27-2
Molecular Formula
C11H14N2O
Molecular Weight
190.25
API Name
Cytisine

Chemical Information

1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one

LSM-22634 is an alkaloid.

CAS Number15191-27-2
PubChem CID22407
IUPAC Name7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Molecular FormulaC11H14N2O
Molecular Weight190.24
XLogP0.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity332
SMILES
C1C2CNCC1C3=CC=CC(=O)N3C2
InChI
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
InChIKey
ANJTVLIZGCUXLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CAS: 15191-27-2
CID: 22407
Formula: C11H14N2O
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass190.110613074
Monoisotopic Mass190.110613074
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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