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13339-01-0

Basic Information
CAS No.: 13339-01-0
Name: 1-(2-Ethoxyphenyl)piperazine
Article Data: 6
Molecular Structure:
Molecular Structure of 13339-01-0 (1-(2-Ethoxyphenyl)piperazine)
Formula: C12H18N2O
Molecular Weight: 206.288
Synonyms: Piperazine,1-(o-ethoxyphenyl)- (6CI,8CI);1-(o-Ethoxyphenyl)piperazine;4-(2-Ethoxyphenyl)-1-piperazine;4-(2-Ethoxyphenyl)piperazine;N-(2-Ethoxyphenyl)piperazine;
EINECS: 236-389-0
Density: 1.041 g/cm3
Boiling Point: 344.663 °C at 760 mmHg
Flash Point: 162.246 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 24.50000
LogP: 1.88870
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Specification

The 1-(2-Ethoxyphenyl)piperazine, with the CAS registry number 13339-01-0, is also known as 4-(2-Ethoxyphenyl)-1-piperazine. Its EINECS number is 236-389-0. This chemical's molecular formula is C12H18N2O and molecular weight is 206.28. What's more, its systematic name is 1-(2-Ethoxyphenyl)piperazine.

Physical properties of 1-(2-Ethoxyphenyl)piperazine are: (1)ACD/LogP: 1.748; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 10.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.5 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 61.117 cm3; (15)Molar Volume: 198.243 cm3; (16)Polarizability: 24.229×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 162.246 °C; (20)Enthalpy of Vaporization: 58.865 kJ/mol; (21)Boiling Point: 344.663 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1N2CCNCC2)CC
(2)Std. InChI: InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
(3)Std. InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N