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Molecule
N-Methyl-1-Naphthalenemethanamine
CAS: 14489-75-9 · C12H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14489-75-9
- Molecular Formula
- C12H13N
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
14489-75-9
SMILES
CNCc1cccc2ccccc12
InChI Key
MQRIUFVBEVFILS-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
Names and Synonyms
- N-Methyl-1-Naphthalenemethanamine Synonym
- 1-Naphthalenemethanamine, N-methyl- Synonym
- 1-Naphthalenemethylamine, N-methyl- Synonym
- N-Methyl-1-naphthalenemethanamine Synonym
- N-Methyl-1-naphthylmethylamine Synonym
- N-Methyl-1-naphthalenemethylamine Synonym
- 1-Methylaminomethylnaphthalene Synonym
- NSC 129392 Synonym
- Methyl(naphthalen-1-ylmethyl)amine Synonym
- [(Naphthalen-1-yl)methyl]methylamine Synonym
- N-Methyl-N-[(1-naphthyl)methyl]amine Synonym
- N-(Naphthalen-1-yl-methyl)-N-methylamine Synonym
- N-Methyl-N-[(naphthalen-1-yl)methyl]amine Synonym
- Methyl(1-naphthylmethyl)amine Synonym
- N-(1-Naphthylmethyl)methylamine Synonym
- N-Methyl-N-naphthylmethylamine 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 | C=1C=CC2=C(C1)C=CC=C2CNC | CAS Common Chemistry |
| InChI | InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MQRIUFVBEVFILS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189.5-190 °C | CAS Common Chemistry |
| Name | N-Methyl-1-naphthalenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.5592000000000006 | RDKit |
| 2.5592 | RDKit | |
| Molar Refractivity | 56.711700000000036 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 | 115-120 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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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MW = 171.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H13N.
