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CAS No.: | 1128-28-5 |
---|---|
Name: | 4-AMINO-2-ISOPROPYL-5-METHYLPHENOL |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C10H15NO |
Molecular Weight: | 165.235 |
Synonyms: | Thymol,6-amino- (6CI,7CI,8CI); |
EINECS: | 214-436-6 |
Density: | 1.055 g/cm3 |
Boiling Point: | 304.6 °C at 760 mmHg |
Flash Point: | 138 °C |
PSA: | 46.25000 |
LogP: | 2.98740 |
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The Phenol, 4-amino-5-methyl-2-(1-methylethyl)-, with the CAS registry number of 1128-28-5, is also known as 4-Amino-2-isopropyl-5-methylphenol. Its EINECS registry number is 214-436-6. This chemical's molecular formula is C10H15NO and molecular weight is 165.23. What's more, its IUPAC name is 4-Amino-5-methyl-2-propan-2-ylphenol.
Physical properties about Phenol, 4-amino-5-methyl-2-(1-methylethyl)- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 5.48; (6)ACD/BCF (pH 7.4): 8.24; (7)ACD/KOC (pH 5.5): 104.44; (8)ACD/KOC (pH 7.4): 157.19; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 51.38 cm3; (15)Molar Volume: 156.4 cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.055 g/cm3; (18)Flash Point: 138 °C; (19)Enthalpy of Vaporization: 56.67 kJ/mol; (20)Boiling Point: 304.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000481 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(c(cc1C(C)C)N)C
(2) InChI: InChI=1/C10H15NO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,11H2,1-3H3
(3) InChIKey: RGRUKJFIPJHWNL-UHFFFAOYAI