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psi-Tropine

CAT: 0572-TRC-T892660-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T892660-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135-97-7
Synonyms
Pseudotropine; 3β-Tropanol; psi-Tropine
Hazard Statement
Harmful if swallowed
Smiles
CN1[C@@H]2CC[C@H]1C[C@H](O)C2
Molecular Formula
C8 H15 N O
Molecular Weight
141.21
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-
Additionnal Information
IUPAC name: (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol

Tropine is a derivative of tropane having a hydroxy group at the 3-position. It has a role as a mouse metabolite. It is a conjugate base of a tropinium.

CAS Number135-97-7
PubChem CID449293
IUPAC Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Molecular FormulaC8H15NO
Molecular Weight141.21
XLogP0.8
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)O
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKey
CYHOMWAPJJPNMW-DHBOJHSNSA-N
Chemical Structure
2D Structure
2D structure of (1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CAS: 135-97-7
CID: 449293
Formula: C8H15NO
MW: 141.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.21
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass141.115364102
Monoisotopic Mass141.115364102
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
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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