Basic information
- CAS
2914-79-6- Standard SMILES
COc1cccc(C2(O)CCCCCC2CN(C)C)c1- InChIKey
BSGAGLMAXMFSQU-UHFFFAOYSA-N- Molecular formula
- C17H27NO2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.2041791
Names & identifiers
- Preferred name
- Cycloheptanol, 2-(dimethylaminomethyl)-1-(m-methoxyphenyl)-
- IUPAC
- 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-ol
- English name
- 2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-ol
- Molecular formula
- C17H27NO2
- Molecular weight
- 277.4
Names & synonyms
BRN 27437822914-79-62-(Dimethylaminomethyl)-1-(m-methoxyphenyl)cycloheptanolCYCLOHEPTANOL, 2-(DIMETHYLAMINOMETHYL)-1-(m-METHOXYPHENYL)-RefChem:3350862-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-olDTXSID80951743Cycloheptanol, 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-
Database identifiers
- CAS
2914-79-6- PubChem CID
- 18010
- DTXSID
DTXSID80951743- Nikkaji
- J48.593D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 0.003 Torr)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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