Basic information
- CAS
120-29-6- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(O)C2- InChIKey
CYHOMWAPJJPNMW-DHBOJHSNSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Overview
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.
Names & identifiers
- Preferred name
- (1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
- IUPAC
- (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
- English name
- Tropine
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-OlRefChem:1049535TropinePseudotropine135-97-7Pseudotropanol120-29-6psi-Tropine3-PseudotropanolTropanol3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol3beta-Tropanol
Show more names
8-Methyl-8-azabicyclo[3.2.1]octan-3-olropineα-TropineAlphatropineTROPINE(α TROPINE, TROPINOL)N-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-OL8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol3-Tropanol3-beta-Tropanolexo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, (3-exo)-endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol1alphaH,5alphaH-Tropan-3beta-oltropan-3beta-ol
Database identifiers
- CAS
120-29-6、135-97-7- PubChem CID
- 449293
- DTXSID
DTXSID2049399
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Dissociation Constants
10.06
10.33
Physicochemical properties
- Melting point
- 50 · 50-60 °C(lit.)
- Boiling point
- 233 °C · 233 °C(lit.)
- Density
- 1.045 g/mL · 1.045 g/mL at 25 °C(lit.)
- refractive index
- 1.4811 · 1.4811 (estimate)
- Flash point
- 232 · 232-234°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 2 O: · H2O: 0.1 g/mL, clear
- form
- Crystalline Powder
- pka
- 3.8 · 3.80(at 15℃)
- color
- White to slightly yellow
- PH
- 12 · 12 (100g/l, H2O, 20℃)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YM3875000
- ridadr
- 1544
- hs_code
- 29399990
- risk_code
- 26/28-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 22-24/25
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H332
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P304+P340+P312-P501
Chemistry & industry
Applications
UsesTropine as an oxidative product of Tropane, used to synthesize alkaloid derivatives. Benzatropine and etybenzatropine are derivatives of tropine. It is also a building block of atropine, an anticholinergic drug prototypical of the muscarinic antagonist class.
UsesTropine is an oxidative product of Tropane, used to synthesize alkaloid derivatives.
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
1 records
Compound notes
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