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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
Names and Synonyms:
N-Methyl-1-Naphthalenemethanamine
1-Naphthalenemethanamine, N-methyl-
1-Naphthalenemethylamine, N-methyl-
N-Methyl-1-naphthalenemethanamine
N-Methyl-1-naphthylmethylamine
N-Methyl-1-naphthalenemethylamine
1-Methylaminomethylnaphthalene
NSC 129392
Methyl(naphthalen-1-ylmethyl)amine
[(Naphthalen-1-yl)methyl]methylamine
N-Methyl-N-[(1-naphthyl)methyl]amine
N-(Naphthalen-1-yl-methyl)-N-methylamine
N-Methyl-N-[(naphthalen-1-yl)methyl]amine
Methyl(1-naphthylmethyl)amine
N-(1-Naphthylmethyl)methylamine
N-Methyl-N-naphthylmethylamine
Identifiers:
SMILES:
CNCc1cccc2ccccc12
InChI:
InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
Key Properties
Boiling Point
115-120 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
189.5-190 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.24299999999997 g/mol | RDKit | |
| 171.104799416 g/mol | RDKit | |
| Boiling Point | 115-120 °C @ Press: 1 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 56.711700000000036 | RDKit |
