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| CAS No.: | 66232-56-2 |
|---|---|
| Name: | 2-AMINO-6-ETHYLBENZOIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | 2-Amino-6-ethylbenzoic acid; |
| Density: | 1.205 g/cm3 |
| Melting Point: | 97-99 °C (decomp) |
| Boiling Point: | 311.5 °C at 760 mmHg |
| Flash Point: | 142.2 °C |
| PSA: | 63.32000 |
| LogP: | 2.11060 |
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- Total:37 Page 1 of 1 1
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Specification
The Benzoic acid, 2-amino-6-ethyl- has the CAS registry number 66232-56-2. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is 2-amino-6-ethylbenzoic acid.
Physical properties of Benzoic acid, 2-amino-6-ethyl- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/BCF (pH 5.5): 1.17; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.79; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.32 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 46.96 cm3; (14)Molar Volume: 137 cm3; (15)Polarizability: 18.61×10-24cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.205 g/cm3; (18)Flash Point: 142.2 °C; (19)Enthalpy of Vaporization: 58.32 kJ/mol; (20)Boiling Point: 311.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000241 mmHg at 25°C.
Uses of Benzoic acid, 2-amino-6-ethyl-: it can be used to produce 2-amino-5-ethyl-benzo[d][1,3]oxazin-4-one. It will need reagent NaOH and solvent H2O with the reaction time of 16 hours. The yield is about 54%.
![Benzoic acid, 2-amino-6-ethyl- can be used to produce 2-amino-5-ethyl-benzo[d][1,3]oxazin-4-one.](/UserFilesUpload/Uses of Benzoic acid, 2-amino-6-ethyl-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cccc1N)CC
(2)InChI: InChI=1S/C9H11NO2/c1-2-6-4-3-5-7(10)8(6)9(11)12/h3-5H,2,10H2,1H3,(H,11,12)
(3)InChIKey: XZZRBIJOVBNMIT-UHFFFAOYSA-N