2-(Bicyclo(2.2.1)hept-2-ylidene)ethanamine
Basic information
- CAS
78461-68-4- Standard SMILES
NC/C=C1\CC2CCC1C2- InChIKey
CUCIOUSFEBXSGH-YCRREMRBSA-N- Molecular formula
- C9H15N
- Average molar mass
- 137.22 g/mol
- Monoisotopic mass
- 137.12044948
Overview
parent & some derivatives posses antiacetylcholine & local anesthetic activity; structure in first source
Names & identifiers
- Preferred name
- 2-(Bicyclo(2.2.1)hept-2-ylidene)ethanamine
- IUPAC
- (2E)-2-(2-bicyclo[2.2.1]heptanylidene)ethanamine
- English name
- 2-(bicyclo(2.2.1)hept-2-ylidene)ethanamine
- Molecular formula
- C9H15N
- Molecular weight
- 137.22
Names & synonyms
2-Bchye-ET80106-52-12-(Bicyclo(2.2.1)hept-2-ylidene)ethanamineEthanamine, 2-bicyclo(2.2.1)hept-2-ylidene-RefChem:9094092-Bicyclo(2.2.1)hept-2-ylideneethanamine(2E)-2-(2-bicyclo[2.2.1]heptanylidene)ethanamineDTXSID401232668Ethanamine, 2-bicyclo[2.2.1]hept-2-ylidene-, (E)-(2E)-2-(Bicyclo[2.2.1]heptan-2-ylidene)ethan-1-amine78461-68-4Ethanamine, 2-(bicyclo[2.2.1]hept-2-ylidene)-
Database identifiers
- CAS
78461-68-4、80106-52-1- PubChem CID
- 6439552
- DTXSID
DTXSID401232668
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 233.1 · 233.1±9.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 9.92 · 9.92±0.29(Predicted)
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Related reactions
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Compound notes
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