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Molecule
2-Methyl-1-Naphthalenamine
CAS: 2246-44-8 · C11H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2246-44-8
- Molecular Formula
- C11H11N
- Molecular Mass
- 157.22 g/mol
Identifiers
CAS Registry Number
2246-44-8
SMILES
Cc1ccc2ccccc2c1N
InChI Key
JMBLSGAXSMOKPN-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3
Names and Synonyms
- 2-Methyl-1-Naphthalenamine Systematic Name
- 1-Naphthalenamine, 2-methyl- Synonym
- 1-Naphthylamine, 2-methyl- Synonym
- 2-Methyl-1-naphthalenamine Synonym
- 2-Methyl-1-naphthylamine Synonym
- 1-Amino-2-methylnaphthalene Synonym
- 2-Methyl-1-aminonaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.22 g/mol | CAS Common Chemistry |
| 157.21599999999998 g/mol | RDKit | |
| 157.216 g/mol | RDKit | |
| Boiling Point | 165 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=2C=CC=CC2C=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C11H11N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JMBLSGAXSMOKPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 31 °C | CAS Common Chemistry |
| Name | 2-Methyl-1-naphthalenamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.7304199999999996 | RDKit |
| 2.7304 | RDKit | |
| Molar Refractivity | 53.097400000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 157.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 157.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H11N.
