Product Name

  • Name

    4,5-DIMETHOXY-2-METHYLANILINE

  • EINECS
  • CAS No. 41864-45-3
  • Article Data7
  • CAS DataBase
  • Density 1.072 g/cm3
  • Solubility
  • Melting Point 108-110 °C
  • Formula C9H13NO2
  • Boiling Point 283.7 °C at 760 mmHg
  • Molecular Weight 167.208
  • Flash Point 136.2 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-22
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 41864-45-3 (4,5-DIMETHOXY-2-METHYLANILINE)
  • Hazard Symbols HarmfulXn,IrritantXi
  • Synonyms o-Toluidine,4,5-dimethoxy- (6CI);2-Methyl-4,5-dimethoxyaniline;NSC 105305;
  • PSA 44.48000
  • LogP 2.17560

4,5-Dimethoxy-2-methylaniline Specification

The Benzenamine,4,5-dimethoxy-2-methyl-, with CAS registry number 41864-45-3, has the systematic name of 4,5-dimethoxy-2-methylaniline. Besides this, it is also called 4,5-dimethoxy-2-methylaniline hydrochloride. And the chemical formula of this chemical is C9H13NO2.

Physical properties of Benzenamine,4,5-dimethoxy-2-methyl-: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.7 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 48.67 cm3; (9)Molar Volume: 155.9 cm3; (10)Polarizability: 19.29×10-24cm3; (11)Surface Tension: 36.7 dyne/cm; (12)Density: 1.071 g/cm3; (13)Flash Point: 136.2 °C; (14)Enthalpy of Vaporization: 52.26 kJ/mol; (15)Boiling Point: 283.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00311 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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(c(cc1OC)N)C)C
(2)InChI: InChI=1/C9H13NO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,10H2,1-3H3
(3)InChIKey: BLAYBVPASDNLJM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H13NO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,10H2,1-3H3
(5)Std. InChIKey: BLAYBVPASDNLJM-UHFFFAOYSA-N

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