Basic information
- CAS
5391-33-3- Standard SMILES
CN(C)CC#CC1(O)c2ccccc2CCc2ccccc21- InChIKey
CKSWGCQQSVSVMD-UHFFFAOYSA-N- Molecular formula
- C20H21NO
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.16231429
Names & identifiers
- Preferred name
- 2-[3-(Dimethylamino)prop-1-ynyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
- IUPAC
- 2-[3-(dimethylamino)prop-1-ynyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Names & synonyms
NSC2696065391-33-3NSC 269606DTXSID60313380NSC-2696065-[3-(Dimethylamino)prop-1-yn-1-yl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol
Database identifiers
- CAS
5391-33-3- PubChem CID
- 320790
- DTXSID
DTXSID60313380
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…