Basic information
- CAS
120786-68-7- Standard SMILES
C[C@@H](O)C1=CCC[C@@H]2CC[C@H]1N2C- InChIKey
YEOXHVHNLQOGKF-FXPVBKGRSA-N- Molecular formula
- C11H19NO
- Average molar mass
- 181.27 g/mol
- Monoisotopic mass
- 181.14666423
Overview
structure given in first source; RN given refers to the (1R-(1alpha,2(R*),6alpha))-isomer
Names & identifiers
- Preferred name
- N-Methylanatoxin
- IUPAC
- (1R)-1-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
- English name
- N-methylanatoxin
- Molecular formula
- C11H19NO
- Molecular weight
- 181.27
Names & synonyms
N-Methylanatoxin120786-68-72-(10-Hydroxyethyl)-9-methyl-9-azabicyclo(4.2.1)-2-noneneDTXSID90923557RefChem:163791DTXCID601352408(1R)-1-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethan-1-ol(1R)-1-[(1R,6R)-9-Methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol9-Azabicyclo(4.2.1)non-2-ene-2-methanol, alpha,9-dimethyl-, (1R-(1alpha,2(R*),6alpha))-(1R,6R)-2-Acetyl-9-methyl-9-azabicyclo[4.2.1]non-2-ene9-Azabicyclo[4.2.1]non-2-ene-2-methanol, α,9-dimethyl-, [1R-[1α,2(R*),6α]]- (9CI)
Database identifiers
- CAS
120786-68-7- PubChem CID
- 149072
- DTXSID
DTXSID90923557- Nikkaji
- J436.822C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 258.6 · 258.6±20.0 °C(Predicted)
- Density
- 1.029 · 1.029±0.06 g/cm3(Predicted)
- pka
- 14.73 · 14.73±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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