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1-(2-Propen-1-Yl)Naphthalene
CAS: 2489-86-3 | C13H12
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2489-86-3
Molecular Formula:
C13H12
Molecular Mass:
168.24 g/mol
Names and Synonyms:
1-(2-Propen-1-Yl)Naphthalene
Naphthalene, 1-(2-propen-1-yl)-
Naphthalene, 1-allyl-
Naphthalene, 1-(2-propenyl)-
1-(2-Propen-1-yl)naphthalene
α-Allylnaphthalene
1-Allylnaphthalene
3-(1-Naphthyl)-1-propene
1-(Propen-2-yl)naphthalene
1-Prop-2-enylnaphthalene
Identifiers:
SMILES:
C=CCc1cccc2ccccc12
InChI:
InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
Key Properties
Boiling Point
266 °C
CAS Common Chemistry
Density
1.02 g/cm³
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 | 168.24 g/mol | CAS Common Chemistry |
| 168.23899999999998 g/mol | RDKit | |
| 168.093900384 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0228 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 266 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RJFCFNWLPJRCLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Propen-1-yl)naphthalene | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.5683000000000025 | RDKit |
| Molar Refractivity | 57.84900000000003 | RDKit |
