Back to Search
Molecule
8-Hydroxyjulolidine
CAS: 41175-50-2 · C12H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41175-50-2
- Molecular Formula
- C12H15NO
- Molecular Mass
- 189.26 g/mol
Identifiers
CAS Registry Number
41175-50-2
SMILES
Oc1ccc2c3c1CCCN3CCC2
InChI Key
FOFUWJNBAQJABO-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2
Names and Synonyms
- 8-Hydroxyjulolidine Systematic Name
- 1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro- Synonym
- 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizin-8-ol Synonym
- 8-Hydroxyjulolidine Synonym
- 2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol Synonym
- 1,2,3,5,6,7-Hexahydropyrido[3,2,1-ij]quinolin-8-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.26 g/mol | CAS Common Chemistry |
| 189.25799999999995 g/mol | RDKit | |
| 189.258 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C2C3=C1CCCN3CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FOFUWJNBAQJABO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 8-Hydroxyjulolidine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 2.0909999999999997 | RDKit |
| 2.091 | RDKit | |
| Molar Refractivity | 56.96180000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 189.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 189.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H15NO.
