3,4,5-Trimethoxyaniline

The Benzenamine,3,4,5-trimethoxy-, with CAS registry number 24313-88-0, has the systematic name of 3,4,5-trimethoxyaniline. This chemical belongs to the following product categories: (1)Anilines, Aromatic Amines and Nitro Compounds; (2)Amines; (3)C9 to C10; (4)Nitrogen Compounds. This chemical is a kind of off-white to beige-brown, grey or pink powder. What's more, its EINECS is 246-154-4.

Physical properties of Benzenamine,3,4,5-trimethoxy-: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.82; (8)ACD/KOC (pH 7.4): 31.9; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.93 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 50.52 cm³; (15)Molar Volume: 163.7 cm³; (16)Polarizability: 20.02×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Enthalpy of Vaporization: 54.05 kJ/mol; (19)Vapour Pressure: 0.00112 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,4,5-trimethoxy-benzamide. This reaction will need reagents hypochlorite, sodium hydroξde.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3,4,5-trimethoxy- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. You should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(cc(OC)c1OC)N)C
(2)InChI: InChI=1/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
(3)InChIKey: XEFRNCLPPFDWAC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
(5)Std. InChIKey: XEFRNCLPPFDWAC-UHFFFAOYSA-N