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N-Formylnornicotine

CAT: 0572-TRC-F700875-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F700875-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3000-81-5
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
O=CN1CCCCC1c2cccnc2
Molecular Formula
C11 H14 N2 O
Molecular Weight
190.24
InChI
InChI=1S/C11H14N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h3-4,6,8-9,11H,1-2,5,7H2
Additionnal Information
IUPAC name: 2-pyridin-3-ylpiperidine-1-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nornicotine, N-formyl
CAS Number3000-81-5
PubChem CID528369
IUPAC Name2-pyridin-3-ylpyrrolidine-1-carbaldehyde
Molecular FormulaC10H12N2O
Molecular Weight176.21
XLogP0.7
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
C1CC(N(C1)C=O)C2=CN=CC=C2
InChI
InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2
InChIKey
GQLSEYOOXBRDFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nornicotine, N-formyl
CAS: 3000-81-5
CID: 528369
Formula: C10H12N2O
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.094963011
Monoisotopic Mass176.094963011
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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