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Molecule
3-(Dimethylamino)Phenol
CAS: 99-07-0 · C8H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 99-07-0
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
99-07-0
SMILES
CN(C)c1cccc(O)c1
InChI Key
MESJRHHDBDCQTH-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
Names and Synonyms
- 3-(Dimethylamino)Phenol Systematic Name
- Phenol, 3-(dimethylamino)- Synonym
- Phenol, m-(dimethylamino)- Synonym
- 3-(Dimethylamino)phenol Synonym
- N,N-Dimethyl-m-aminophenol Synonym
- m-(Dimethylamino)phenol Synonym
- (3-Hydroxyphenyl)dimethylamine Synonym
- 3-Hydroxy-N,N-dimethylaniline Synonym
- m-(N,N-Dimethylamino)phenol Synonym
- 3-N,N-Dimethylaminophenol Synonym
- NSC 62017 Synonym
- N,N-Dimethyl-3-aminophenol 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 | |
| Boiling Point | 266.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MESJRHHDBDCQTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | 3-(Dimethylamino)phenol | 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 | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 1.4582 | RDKit |
| 1.4 | chempirical lib | |
| Molar Refractivity | 42.43380000000002 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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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
