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| CAS No.: | 2836-00-2 |
|---|---|
| Name: | 3-Amino-4-methylphenol |
| Article Data: | 31 |
| Cas Database | |
| Molecular Structure: | |
|
|
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| Formula: | C7H9NO |
| Molecular Weight: | 123.155 |
| Synonyms: | p-Cresol,3-amino- (6CI,7CI,8CI);3-Hydroxy-6-methylaniline;4-Methyl-3-aminophenol;3-Amino-4-methylphenol;2-Amino-4-hydroxytoluene;5-Hydroxy-2-methylaniline;5-Hydroxy-o-toluidine; |
| EINECS: | 220-622-8 |
| Density: | 1.157 g/cm3 |
| Melting Point: | 156-157 °C |
| Boiling Point: | 274.14 °C at 760 mmHg |
| Flash Point: | 119.596 °C |
| Appearance: | crystals |
| Hazard Symbols: |
 Xi
|
| PSA: | 46.25000 |
| LogP: | 1.86400 |
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Specification
The IUPAC name of 3-Amino-4-methylphenol is 3-amino-4-methylphenol. With the CAS registry number 2836-00-2, it is also named as 5-Hydroxy-o-toluidine. The product's categories are Pharmacetical; Phenol & Thiophenol & Mercaptan. Besides, it is crystals, which may be sensitive to prolonged exposure to air. And it reacts with strong oxidizing agents. In addition, its molecular formula is C7H9NO and molecular weight is 123.15.
The other characteristics of 3-Amino-4-methylphenol can be summarized as: (1)EINECS: 220-622-8; (2)ACD/LogP: 0.80; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.78; (5)ACD/LogD (pH 7.4): 0.8; (6)ACD/BCF (pH 5.5): 2.3; (7)ACD/BCF (pH 7.4): 2.38; (8)ACD/KOC (pH 5.5): 62.52; (9)ACD/KOC (pH 7.4): 64.77; (10)#H bond acceptors: 2; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 12.47 Å2; (14)Index of Refraction: 1.616; (15)Molar Refractivity: 37.19 cm3; (16)Molar Volume: 106.4 cm3; (17)Polarizability: 14.74×10-24cm3; (18)Surface Tension: 51.9 dyne/cm; (19)Density: 1.157 g/cm3; (20)Flash Point: 119.6 °C; (21)Melting point: 156-157 °C; (22)Enthalpy of Vaporization: 53.31 kJ/mol; (23)Boiling Point: 274.1 °C at 760 mmHg; (24)Vapour Pressure: 0.00328 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1ccc(c(N)c1)C
(2)InChI: InChI=1/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3
(3)InChIKey: NUNAWQZKZVVELQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3
(5)Std. InChIKey: NUNAWQZKZVVELQ-UHFFFAOYSA-N