methyl (1S)-1-amino-3-prop-1-en-2-ylcyclohex-3-ene-1-carboxylate
Basic information
- CAS
194287-40-6- Standard SMILES
C=C(C)C1=CCC[C@@](N)(C(=O)OC)C1- InChIKey
DOMSLJLKOXUVIZ-NSHDSACASA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
Names & identifiers
- Preferred name
- methyl (1S)-1-amino-3-prop-1-en-2-ylcyclohex-3-ene-1-carboxylate
- IUPAC
- methyl (1S)-1-amino-3-prop-1-en-2-ylcyclohex-3-ene-1-carboxylate
- English name
- 3-Cyclohexene-1-carboxylicacid,1-amino-3-(1-methylethenyl)-,methylester,
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
3-Cyclohexene-1-carboxylicacid,1-amino-3-(1-methylethenyl)-,methylester,3-Cyclohexene-1-carboxylic acid, 1-amino-3-(1-methylethenyl)-, methyl ester, (1S)-
Database identifiers
- CAS
194287-40-6- Nikkaji
- J883.503I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 275.619 · 275.619±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.909 · 6.909±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…