METHYL 4-DIMETHYLAMINOBENZOATE

The Benzoic acid,4-(dimethylamino)-, methyl ester, with its CAS registry number 1202-25-1, has the IUPAC name of methyl 4-(dimethylamino)benzoate. And it has the molecular formula of C₁₀H₁₃NO₂ and the molecular weight of 179.22. This chemical belongs to the product categories which include Aromatic Esters. When you are using this chemical, you should avoid breathe dust and then avoid contacting with skin and eyes. In addition, when store it, you should keep it in the dry and well-ventilated place, away from the oxidizing material, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Benzoic acid,4-(dimethylamino)-, methyl ester are as follows: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.95; (6)ACD/BCF (pH 7.4): 57.01; (7)ACD/KOC (pH 5.5): 628.15; (8)ACD/KOC (pH 7.4): 628.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 52.33 cm³; (15)Molar Volume: 165.3 cm³; (16)Polarizability: 20.74×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 112.6 °C; (20)Enthalpy of Vaporization: 51.9 kJ/mol; (21)Boiling Point: 280.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00381 mmHg at 25°C; (23)Exact Mass: 179.094629; (24)MonoIsotopic Mass: 179.094629; (25)Topological Polar Surface Area: 29.5; (26)Heavy Atom Count: 13; (27)Complexity: 172; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Cation Count: 1; (30)Feature 3D Ring Count: 1.

Use of this chemical: Benzoic acid,4-(dimethylamino)-, methyl ester could react to produce 4-dimethylamino-benzoic acid hydrazide, and this reaction could happen in the reagent of hydrazine hydrate at 150-160 °C.

Production method of this chemical: 4-Dimethylamino-benzoic acid could react with methanol to produce Benzoic acid,4-(dimethylamino)-, methyl ester, and this reaction could happen in the reagent of HCl.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)OC
(2)InChI: InChI=1S/C10H13NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h4-7H,1-3H3
(3)InChIKey: DBQGARDMYOMOOS-UHFFFAOYSA-N