CAS No.40800-65-5,Ethyl 4-amino-3-methylbenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40800-65-5
Name:	Ethyl 4-amino-3-methylbenzoate
Article Data:	7

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
Synonyms:	m-Toluicacid, 4-amino-, ethyl ester (6CI);4-Carboethoxy-2-methyl aniline;NSC 136731;
Density:	1.104 g/cm³
Boiling Point:	327.039 °C at 760 mmHg
Flash Point:	177.203 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	52.32000
LogP:	2.33510

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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.