Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,4-amino-3,5-dimethyl-, ethyl ester |
EINECS | N/A |
CAS No. | 3095-47-4 | Density | 1.081 g/cm3 |
PSA | 52.32000 | LogP | 2.64350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H15NO2 | Boiling Point | 343.9 °C at 760 mmHg |
Molecular Weight | 193.246 | Flash Point | 190.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,6-Xylidine-4-carboxylicacid ethyl ester;3,5-Dimethyl-4-aminobenzoic acid ethyl ester;Ethyl 3,5-dimethyl-4-aminobenzoate;Ethyl 4-amino-3,5-dimethylbenzoate; |
Article Data | 7 |
The Benzoic acid,4-amino-3,5-dimethyl-, ethyl ester, with the CAS registry number 3095-47-4, is also known as Ethyl 3,5-dimethyl-4-aminobenzoate. This chemical's molecular formula is C11H15NO2 and molecular weight is 193.24. What's more, its systematic name is Ethyl 4-amino-3,5-dimethylbenzoate.
Physical properties of Benzoic acid,4-amino-3,5-dimethyl-, ethyl ester are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 56.54 cm3; (9)Molar Volume: 178.6 cm3; (10)Polarizability: 22.41×10-24 cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.081 g/cm3; (13)Flash Point: 190.5 °C; (14)Enthalpy of Vaporization: 58.78 kJ/mol; (15)Boiling Point: 343.9 °C at 760 mmHg; (16)Vapour Pressure: 6.83E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1)C)N)C
(2)InChI: InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7(2)10(12)8(3)6-9/h5-6H,4,12H2,1-3H3
(3)InChIKey: GEMKGDSDLYAIRK-UHFFFAOYSA-N