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Name |
3-Amino-5-methylphenol |
EINECS | 278-502-6 |
CAS No. | 76619-89-1 | Density | 1.157 g/cm3 |
PSA | 46.25000 | LogP | 1.86400 |
Solubility | N/A | Melting Point |
139°C |
Formula | C7H9NO | Boiling Point | 281.1 °C at 760 mmHg |
Molecular Weight | 123.155 | Flash Point | 123.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Cresol,5-amino- (6CI,7CI);3-Amino-5-methylphenol;3-Hydroxy-5-methylaniline;5-Methyl-3-aminophenol;5-amino-m-cresol; |
Article Data | 7 |
The 3-Amino-5-methylphenol, with the CAS registry number 76619-89-1 and EINECS registry number 278-502-6, is also called 5-amino-m-cresol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H9NO.
The characteristics of 3-Amino-5-methylphenol are as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.23; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 60.62; (8)ACD/KOC (pH 7.4): 64.69; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 37.19 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 14.74×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 123.8 °C; (20)Enthalpy of Vaporization: 54.08 kJ/mol; (21)Boiling Point: 281.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00213 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc(cc(N)c1)C
(2)InChI: InChI=1/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
(3)InChIKey: NCUABBHFJSFKOJ-UHFFFAOYAZ