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Benzoic acid, 4-(methylamino)-, methyl ester

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Name

Benzoic acid, 4-(methylamino)-, methyl ester

EINECS N/A
CAS No. 18358-63-9 Density 1.125 g/cm3
PSA 38.33000 LogP 1.58790
Solubility It is slightly soluble in water. (1.2 g/L) (25°C insoluble in hexane. Melting Point 94-96 °C
Formula C9H11NO2 Boiling Point 277.5 °C at 760 mmHg
Molecular Weight 165.192 Flash Point 121.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R11; R34
Molecular Structure Molecular Structure of 18358-63-9 (METHYL 4-METHYLAMINOBENZOATE) Hazard Symbols F,C
Synonyms

Methyl 4-(methylamino)benzoate;4-Methylaminobenzoic acid methyl ester;

Article Data 41

Benzoic acid, 4-(methylamino)-, methyl ester Specification

The Benzoic acid, 4-(methylamino)-, methyl ester, with the CAS registry number 18358-63-9, is also known as 4-Methylaminobenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is methyl 4-(methylamino)benzoate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.

Physical properties of Benzoic acid, 4-(methylamino)-, methyl ester are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.15; (6)ACD/BCF (pH 7.4): 26.16; (7)ACD/KOC (pH 5.5): 359.88; (8)ACD/KOC (pH 7.4): 360.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 47.63 cm3; (15)Molar Volume: 146.7 cm3; (16)Polarizability: 18.88×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 51.61 kJ/mol; (21)Boiling Point: 277.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00451 mmHg at 25°C.

Preparation of Benzoic acid, 4-(methylamino)-, methyl ester: this chemical can be prepared by methanol and 4-methylamino-benzoic acid by heating. This reaction will need reagent p-toluenesulfonic acid monohydrate with the reaction time of 72 hours. The yield is about 100%.

Benzoic acid, 4-(methylamino)-, methyl  can be prepared by methanol and 4-methylamino-benzoic acid by heating

Uses of Benzoic acid, 4-(methylamino)-, methyl ester: it can be used to produce methyl 4-(N-butyryl-N-meethylamino)benzoate by heating. It will need reagent triethylamine and solvent diethyl ether with the reaction time of 4 hours. The yield is about 50%.

Benzoic acid, 4-(methylamino)-, methyl ester can be used to produce methyl 4-(N-butyryl-N-meethylamino)benzoate by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=C(C=C1)C(=O)OC
(2)InChI: InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
(3)InChIKey: LLAMGYUWYUMHCH-UHFFFAOYSA-N

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