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| CAS No.: | 66315-23-9 |
|---|---|
| Name: | ETHYL 3-AMINO-4-(METHYLAMINO)BENZOATE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H14N2O2 |
| Molecular Weight: | 194.233 |
| Synonyms: | Ethyl 3-amino-4-(methylamino)benzoate; |
| EINECS: | 200-258-5 |
| Density: | 1.173 g/cm3 |
| Melting Point: | 87 °C |
| Boiling Point: | 357.396 °C at 760 mmHg |
| Flash Point: | 169.948 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 64.35000 |
| LogP: | 2.14140 |
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- Total:33 Page 1 of 1 1
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Specification
The Ethyl 3-amino-4-(methylamino)benzoate with the CAS number 66315-23-9 is also called Benzoic acid,3-amino-4-(methylamino)-, ethyl ester. Its molecular formula is C10H14N2O2. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the Ethyl 3-amino-4-(methylamino)benzoate are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.648; (4)ACD/LogD (pH 7.4): 1.746; (5)ACD/BCF (pH 5.5): 9.962; (6)ACD/BCF (pH 7.4): 12.501; (7)ACD/KOC (pH 5.5): 168.964; (8)ACD/KOC (pH 7.4): 212.042; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.35 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 56.505 cm3; (15)Molar Volume: 165.569 cm3; (16)Polarizability: 22.4×10-24cm3; (17)Surface Tension: 48.366 dyne/cm; (18)Enthalpy of Vaporization: 60.276 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc(c(c1)N)NC
(2)InChI: InChI=1/C10H14N2O2/c1-3-14-10(13)7-4-5-9(12-2)8(11)6-7/h4-6,12H,3,11H2,1-2H3
(3)InChIKey: ZPJHHBPBCFRECW-UHFFFAOYAB