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Molecule
1-Naphthalenemethanamine
CAS: 118-31-0 · C11H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 118-31-0
- Molecular Formula
- C11H11N
- Molecular Mass
- 157.22 g/mol
Identifiers
CAS Registry Number
118-31-0
SMILES
NCc1cccc2ccccc12
InChI Key
NVSYANRBXPURRQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
Names and Synonyms
- 1-Naphthalenemethanamine Synonym
- 1-Naphthalenemethanamine Synonym
- 1-Naphthalenemethylamine Synonym
- α-Naphthylmethylamine Synonym
- 1-Naphthylmethylamine Synonym
- 1-(Aminomethyl)naphthalene Synonym
- 1-(1-Naphthyl)methylamine Synonym
- (Naphthalen-1-ylmethyl)amine Synonym
- NSC 210425 Synonym
- Naphthalen-1-ylmethanamine Synonym
- 1-(1-Naphthyl)methanamine Synonym
- 1-(Naphthalen-1-yl)methanamine Synonym
- C-(Naphthalen-1-yl)-methylamine Synonym
- 1-Naphthylmethaneamine Synonym
- 1-Naphthylmethanamine 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 | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0958 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | NCC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NVSYANRBXPURRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | 1-Naphthalenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.2985000000000007 | RDKit |
| 2.2985 | RDKit | |
| Molar Refractivity | 51.839400000000026 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 |
| Boiling Point | 155 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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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Quick conversion
MW = 157.22 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H11N.
