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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
Names and Synonyms:
1-Naphthalenemethanamine
1-Naphthalenemethanamine
1-Naphthalenemethylamine
α-Naphthylmethylamine
1-Naphthylmethylamine
1-(Aminomethyl)naphthalene
1-(1-Naphthyl)methylamine
(Naphthalen-1-ylmethyl)amine
NSC 210425
Naphthalen-1-ylmethanamine
1-(1-Naphthyl)methanamine
1-(Naphthalen-1-yl)methanamine
C-(Naphthalen-1-yl)-methylamine
1-Naphthylmethaneamine
1-Naphthylmethanamine
Identifiers:
SMILES:
NCc1cccc2ccccc12
InChI:
InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2
Key Properties
Boiling Point
155 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
62 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 157.22 g/mol | CAS Common Chemistry |
| 157.21599999999998 g/mol | RDKit | |
| 157.089149352 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0958 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 155 °C @ Press: 12 Torr | 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 |
| Molar Refractivity | 51.839400000000026 | RDKit |
