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Molecule
Para-Cresidine
CAS: 120-71-8 · C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 120-71-8
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
120-71-8
SMILES
COc1ccc(C)cc1N
InChI Key
WXWCDTXEKCVRRO-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
Names and Synonyms
- Para-Cresidine Synonym
- Benzenamine, 2-methoxy-5-methyl- Synonym
- o-Anisidine, 5-methyl- Synonym
- 2-Methoxy-5-methylbenzenamine Synonym
- Cresidine Synonym
- p-Cresidine Synonym
- 5-Methyl-o-anisidine Synonym
- 2-Methoxy-5-methylaniline Synonym
- 3-Amino-4-methoxytoluene Synonym
- Krezidin Synonym
- 4-Methyl-2-aminoanisole Synonym
- 1-Amino-2-methoxy-5-methylbenzene Synonym
- m-Amino-p-cresol methyl ether Synonym
- NSC 406904 Synonym
- NSC 6162 Synonym
- 5-Methyl-2-methoxyaniline Synonym
- 6-Methoxy-m-toluidine Synonym
- 3-Methyl-6-methoxyaniline Synonym
- (2-Methoxy-5-methylphenyl)amine Synonym
- 2-Methoxy-5-methyl-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.182 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Para-Cresidine | CAS Common Chemistry |
| Boiling Point | 235 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXWCDTXEKCVRRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51.5 °C | CAS Common Chemistry |
| Name | 2-Methoxy-5-methylaniline | CAS Common Chemistry |
| para-Cresidine | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.58582 | RDKit |
| 1.5858 | RDKit | |
| Molar Refractivity | 42.14340000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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0 ppm
| 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 = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
