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Molecule
1-(1-Naphthyl)Ethylamine
CAS: 42882-31-5 · C12H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42882-31-5
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
42882-31-5
SMILES
CC(N)c1cccc2ccccc12
InChI Key
RTCUCQWIICFPOD-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3
Names and Synonyms
- 1-(1-Naphthyl)Ethylamine Synonym
- 1-Naphthalenemethanamine, α-methyl- Synonym
- 1-Naphthalenemethanamine, α-methyl-, (±)- Synonym
- α-Methyl-1-naphthalenemethanamine Synonym
- dl-α-(1-Naphthyl)ethylamine Synonym
- (±)-1-(1-Naphthyl)ethylamine Synonym
- (±)-1-(α-Naphthyl)ethylamine Synonym
- (RS)-1-(1-Naphthyl)ethylamine Synonym
- (RS)-1-(α-Naphthyl)ethylamine Synonym
- α-Methyl-1-naphthalenemethylamine Synonym
- 1-(α-Naphthyl)ethylamine Synonym
- 1-(1-Naphthyl)ethylamine Synonym
- 1-Amino-1-(1-naphthyl)ethane Synonym
- (1-(Naphthalen-1-yl)ethyl)amine Synonym
- NSC 180601 Synonym
- NSC 75881 Synonym
- (±)-α-(1-Naphthyl)ethylamine Synonym
- 1-(Naphthalen-1-yl)ethanamine Synonym
- 1-Naphthylethylamine Synonym
- 1-(Naphthalen-1-yl)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.243 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.063 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C1=CC=CC=2C=CC=CC21)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTCUCQWIICFPOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Naphthyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 2.8595000000000015 | RDKit |
| 2.8595 | RDKit | |
| Molar Refractivity | 56.550400000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 171.104799416 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 |
|---|
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 = 171.24 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13N.
