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O-Toluidine
CAS: 95-53-4 | C7H9N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
95-53-4
Molecular Formula:
C7H9N
Molecular Mass:
107.16 g/mol
Names and Synonyms:
O-Toluidine
o-Methylaniline
Benzenamine, 2-methyl-
o-Toluidine
2-Methylbenzenamine
2-Aminotoluene
o-Methylbenzenamine
2-Methyl-1-aminobenzene
2-Toluidine
2-Methylaniline
o-Tolylamine
1-Amino-2-methylbenzene
o-Aminotoluene
2-Amino-1-methylbenzene
2-Methylphenylamine
2-Tolylamine
NSC 15348
Identifiers:
SMILES:
Cc1ccccc1N
InChI:
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
Key Properties
Boiling Point
200.3 °C
CAS Common Chemistry
Melting Point
-16.3 °C
CAS Common Chemistry
Density
1.01 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 | 107.16 g/mol | CAS Common Chemistry |
| 107.156 g/mol | RDKit | |
| 107.073499288 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.008 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/O-Toluidine | CAS Common Chemistry |
| Boiling Point | 200.3 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RNVCVTLRINQCPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -16.3 °C | CAS Common Chemistry |
| Name | o-Toluidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.57722 | RDKit |
| Molar Refractivity | 35.59139999999999 | RDKit |
