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| CAS No.: | 10369-83-2 |
|---|---|
| Name: | 2-Diethylaminoethyl hexanoate |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H25NO2 |
| Molecular Weight: | 215.336 |
| Synonyms: | 2-(Diethylamino)ethylcaproate;DA 6;HKL 4;2-Diethylaminoethyl hexanoate; |
| EINECS: | 600-474-4 |
| Density: | 0.907 g/cm3 |
| Boiling Point: | 277.338 °C at 760 mmHg |
| Flash Point: | 87.509 °C |
| Appearance: | colorless to yellow transparent liquid |
| PSA: | 161.67000 |
| LogP: | 1.20320 |
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Specification
The 2-Diethylaminoethyl hexanoate, with the CAS registry number 10369-83-2, is also known as Hexanoic acid 2-(diethylamino)ethyl ester. This chemical's molecular formula is C12H25NO2 and molecular weight is 215.33. What's more, its systematic name is 2-(Diethylamino)ethyl hexanoate.
Physical properties of 2-Diethylaminoethyl hexanoate are: (1)ACD/LogP: 3.519; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 1.90; (8)ACD/KOC (pH 7.4): 28.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 63.139 cm3; (15)Molar Volume: 237.352 cm3; (16)Polarizability: 25.03×10-24cm3; (17)Surface Tension: 31.0 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 87.509 °C; (20)Enthalpy of Vaporization: 51.59 kJ/mol; (21)Boiling Point: 277.338 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCC(=O)OCCN(CC)CC
(2)Std. InChI: InChI=1S/C12H25NO2/c1-4-7-8-9-12(14)15-11-10-13(5-2)6-3/h4-11H2,1-3H3
(3)Std. InChIKey: AEIJVYPRKAWFPN-UHFFFAOYSA-N