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NSC 6162
CAS: 120-71-8 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-71-8
Molecular Formula:
C8H11NO
Molecular Weight:
137.18199999999996 g/mol
Names and Synonyms:
NSC 6162
Para-Cresidine
Benzenamine, 2-methoxy-5-methyl-
o-Anisidine, 5-methyl-
2-Methoxy-5-methylbenzenamine
Cresidine
p-Cresidine
5-Methyl-o-anisidine
2-Methoxy-5-methylaniline
3-Amino-4-methoxytoluene
Krezidin
4-Methyl-2-aminoanisole
1-Amino-2-methoxy-5-methylbenzene
m-Amino-p-cresol methyl ether
NSC 406904
5-Methyl-2-methoxyaniline
6-Methoxy-m-toluidine
3-Methyl-6-methoxyaniline
(2-Methoxy-5-methylphenyl)amine
2-Methoxy-5-methyl-phenylamine
Identifiers:
SMILES:
COc1ccc(C)cc1N
InChI:
InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.18199999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.58582 | RDKit |
| molecular_mass | 137.18 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Para-Cresidine None | Legacy Database |
| cas-boiling-point | 235 °C None | Legacy Database |
| cas-canonical-smile | O(C1=CC=C(C=C1N)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WXWCDTXEKCVRRO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 51.5 °C None | Legacy Database |
| cas-name | 2-Methoxy-5-methylaniline None | Legacy Database |
| wikipedia-name | para-Cresidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.14340000000001 | RDKit |
