CAS No.2836-00-2,3-Amino-4-methylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2836-00-2
Name:	3-Amino-4-methylphenol
Article Data:	31

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