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Molecule
(+)-1-(1-Naphthyl)Ethylamine
CAS: 3886-70-2 · C12H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3886-70-2
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
3886-70-2
SMILES
C[C@@H](N)c1cccc2ccccc12
InChI Key
RTCUCQWIICFPOD-SECBINFHSA-N
InChI
InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1
Names and Synonyms
- (+)-1-(1-Naphthyl)Ethylamine Synonym
- 1-Naphthalenemethanamine, α-methyl-, (αR)- Synonym
- 1-Naphthalenemethylamine, α-methyl-, (R)-(+)- Synonym
- 1-Naphthalenemethanamine, α-methyl-, (R)- Synonym
- (αR)-α-Methyl-1-naphthalenemethanamine Synonym
- (+)-α-(1-Naphthyl)ethylamine Synonym
- d-1-(1-Naphthyl)ethylamine Synonym
- (R)-(+)-α-(1-Naphthyl)ethylamine Synonym
- (+)-1-(1-Naphthyl)ethylamine Synonym
- (+)-1-(α-Naphthyl)ethylamine Synonym
- (R)-α-(1-Naphthyl)ethylamine Synonym
- (R)-1-(1-Naphthyl)ethylamine Synonym
- (R)-1-(α-Naphthyl)ethylamine Synonym
- (R)-(+)-1-(1-Naphthyl)ethylamine Synonym
- (R)-(+)-1-(α-Naphthyl)ethylamine Synonym
- (R)-1-(1-Naphthyl)ethanamine Synonym
- (R)-1-Naphthylethylamine Synonym
- (R)-α-Methyl-1-naphthalenemethanamine Synonym
- (R)-(+)-1-(1-Naphthyl)ethylamine Synonym
- [(R)-1-(Naphthalen-1-yl)ethyl]amine Synonym
- (1R)-1-(1-Naphthyl)ethanamine Synonym
- (R)-1-(Naphthalen-1-yl)ethanamine Synonym
- (+)-[(R)-1-(Naphthalen-1-yl)ethyl]amine Synonym
- (R)-1-(1-Naphthalenyl)ethylamine Synonym
- (R)-1-(Naphthalen-1-yl)ethan-1-amine Synonym
- (1R)-1-(Naphthalen-1-yl)ethan-1-amine Synonym
- (1R)-1-Naphthalen-1-ylethanamine 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 | |
| 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/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RTCUCQWIICFPOD-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C | 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 |
| Boiling Point | 110-115 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| 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.
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MW = 171.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13N.
