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Ethyl 4-amino-3-methylbenzoate

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Name

Ethyl 4-amino-3-methylbenzoate

EINECS N/A
CAS No. 40800-65-5 Density 1.104 g/cm3
PSA 52.32000 LogP 2.33510
Solubility N/A Melting Point N/A
Formula C10H13NO2 Boiling Point 327.039 °C at 760 mmHg
Molecular Weight 179.219 Flash Point 177.203 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40800-65-5 (Ethyl 4-amino-3-methylbenzoate) Hazard Symbols N/A
Synonyms

m-Toluicacid, 4-amino-, ethyl ester (6CI);4-Carboethoxy-2-methyl aniline;NSC 136731;

Article Data 7

Ethyl 4-amino-3-methylbenzoate Specification

The IUPAC name of Ethyl 4-amino-3-methylbenzoate is ethyl 4-amino-3-methylbenzoate. With the CAS registry number 40800-65-5, it is also named as Benzoic acid,4-amino-3-methyl-, ethyl ester. The product's category is pharmacetical. Its molecular formula is C10H13NO2 and its molecular weight is 179.22. 

The other characteristics of Ethyl 4-amino-3-methylbenzoate can be summarized as: (1)ACD/LogP: 2.41 ; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3 ; (4)#H bond donors: 2 ; (5)#Freely Rotating Bonds: 4 ; (6)Index of Refraction: 1.549 ; (7)Topological Polar Surface Area: 52.3 ; (8)Heavy Atom Count: 13 ; (9)Complexity: 182 ; (10)Molar Refractivity: 51.71 cm3 ; (11)Molar Volume: 162.3 cm3 ; (12)Surface Tension: 42.8 dyne/cm ; (13)Density: 1.103 g/cm3 ; (14)Flash Point: 177.2 °C ; (15)Enthalpy of Vaporization: 56.93 kJ/mol ; (16)Boiling Point: 327 °C at 760 mmHg ; (17)Vapour Pressure: 0.000207 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It irritate to your eyes, respiratory system and skin. In case of contact with your eyes, please rinse immediately with plenty of water and seek medical advice. In addition, you can wear suitable protective clothing, gloves and eye/face protection when you use it.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCC)c1ccc(N)c(c1)C;
(2)InChI:InChI=1/C10H13NO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3;
(3)InChIKey:JUKRQDBAJXYXIR-UHFFFAOYAX;
(4)Std. InChI:InChI=1S/C10H13NO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3;
(5)Std. InChIKey:JUKRQDBAJXYXIR-UHFFFAOYSA-N.

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