Back to Search
8-Hydroxyjulolidine-9-Carboxaldehyde
CAS: 63149-33-7 | C13H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63149-33-7
Molecular Formula:
C13H15NO2
Molecular Mass:
217.27 g/mol
Names and Synonyms:
8-Hydroxyjulolidine-9-Carboxaldehyde
1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy-
2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde
9-Formyl-8-hydroxyjulolidine
9-Formyl-8-julolidinol
8-Hydroxyjulolidine-9-carboxaldehyde
9-Formyl-8-hydroxy-2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine
Identifiers:
SMILES:
O=Cc1cc2c3c(c1O)CCCN3CCC2
InChI:
InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
Key Properties
Melting Point
70-72 °C @ Solvent: Hexane
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.27 g/mol | CAS Common Chemistry |
| 217.26799999999992 g/mol | RDKit | |
| 217.11027872 g/mol | RDKit | |
| Canonical SMILES | O=CC=1C=C2C3=C(C1O)CCCN3CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NRZXBDYODHLZBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70-72 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 8-Hydroxyjulolidine-9-carboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.54 Ų | RDKit |
| LogP | 1.9034999999999997 | RDKit |
| Molar Refractivity | 62.349300000000035 | RDKit |
