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Luzindole
CAS: 117946-91-5 | C19H20N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
117946-91-5
Molecular Formula:
C19H20N2O
Molecular Mass:
292.38 g/mol
Names and Synonyms:
Luzindole
Acetamide, N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]-
N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]acetamide
Luzindole
N 0774
2-Benzyl-N-acetyltryptamine
Identifiers:
SMILES:
CC(O)=NCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChI:
InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
Key Properties
Melting Point
103-104 °C @ Solvent: Acetone
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 | 292.38 g/mol | CAS Common Chemistry |
| 292.38200000000006 g/mol | RDKit | |
| 292.15756325999996 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCC=1C=2C=CC=CC2NC1CC=3C=CC=CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=WVVXBPKOIZGVNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-104 °C @ Solvent: Acetone | CAS Common Chemistry |
| Name | Luzindole | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 48.38 Ų | RDKit |
| LogP | 4.277600000000003 | RDKit |
| Molar Refractivity | 91.85550000000006 | RDKit |
