rac-(1R,2S)-2-(2-methoxyphenyl)cyclopropan-1-amine
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Basic information
- CAS
748093-78-9- Standard SMILES
COc1ccccc1[C@@H]1C[C@H]1N- InChIKey
DHHVOLWFZZZOCA-DTWKUNHWSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
Names & identifiers
- Preferred name
- rac-(1R,2S)-2-(2-methoxyphenyl)cyclopropan-1-amine
- IUPAC
- trans-(1R,2S)-2-(2-methoxyphenyl)cyclopropan-1-amine
- English name
- Cyclopropanamine, 2-(2-methoxyphenyl)-, trans-(+)- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
rac-(1R,2S)-2-(2-methoxyphenyl)cyclopropan-1-amine1463485-86-0SCHEMBL7092178CHEMBL4589871SCHEMBL31113521EN300-298200Cyclopropanamine, 2-(2-methoxyphenyl)-, (1R,2S)-rel-(+)-Cyclopropanamine, 2-(2-methoxyphenyl)-, trans-(+)- (9CI)
Database identifiers
- CAS
748093-78-9- ChEMBL
CHEMBL4589871
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 251.746 · 251.746±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.136 · 8.136±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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