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Tropinone

CAT: 0572-TRC-T892680-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T892680-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
532-24-1
Synonyms
1αH,5αH-Tropan-3-one (8CI); Tropanone (6CI); Tropinone (7CI); 8-Methyl-8-azabicyclo[3.2.1]octan-3-one; 3-Tropanone; 3-Tropinone; N-Methyl-8-azabicyclo[3.2.1]octan-3-one; NSC 118012; Tropanon; Tropinon; 8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN1[C@@H]2CC[C@H]1CC(=O)C2
Molecular Formula
C8 H13 N O
Molecular Weight
139.195
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
Additionnal Information
IUPAC name: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tropinone

Tropinone is a tropane alkaloid. It is a conjugate base of a tropiniumone.

CAS Number532-24-1
PubChem CID446337
IUPAC Name(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Molecular FormulaC8H13NO
Molecular Weight139.19
XLogP0.3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity151
SMILES
CN1[C@@H]2CC[C@H]1CC(=O)C2
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChIKey
QQXLDOJGLXJCSE-KNVOCYPGSA-N
Chemical Structure
2D Structure
2D structure of Tropinone
CAS: 532-24-1
CID: 446337
Formula: C8H13NO
MW: 139.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.19
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.099714038
Monoisotopic Mass139.099714038
Topological Polar Surface Area20.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity151
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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