Tropine
Properties
- Molecular formula
- C8H15NO
- Molar mass
- 141.21 g/mol
- Exact mass
- 141.1154 Da
- Density
- 1.001 g/mL (at 116 °C)
- Melting point
- 64 °C
- Boiling point
- 233 °C
- logP
- 0.60Crippen estimate
- Polar surface area
- 23.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
- Stereocentres
- R, S, rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
120-29-6SMILES
CN1[C@@H]2CC[C@H]1C[C@@H](O)C2InChIKey
CYHOMWAPJJPNMW-JIGDXULJNA-NInChI
InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-endo)-
- 1αH,5αH-Tropan-3α-ol
- 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-
- Tropanol
- (3-Endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
- 3α-Tropanol
- 2,3-Dihydro-3α-hydroxy-8-methylnortropidine
- 2,3-Dihydro-3α-hydroxytropidine
- NSC 43870
- α-Tropine
Work with Tropine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
endo-3-Aminotropane87571-88-858 % similar
(3-Endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol3423-25-454 % similar
Scopine498-45-346 % similar
endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride135906-03-543 % similar
Scopine hydrochloride85700-55-642 % similar
Methyldicyclohexylamine7560-83-042 % similar
1,3,5-Cyclohexanetriol2041-15-840 % similar
Tropinone532-24-139 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.