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43091-72-1

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Basic Information
CAS No.: 43091-72-1
Name: 1-(2-METHOXYPHENYL)-4-(2-CHLOROETHYL)PIPERAZINE DIHYDROCHLORIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 43091-72-1 (1-(2-METHOXYPHENYL)-4-(2-CHLOROETHYL)PIPERAZINE DIHYDROCHLORIDE)
Formula: C13H21Cl3N2O
Molecular Weight: 254.76
Synonyms: 1-(2-Chloroethyl)-4-(2-methoxyphenyl)piperazine;
Density: 1.128±0.06 g/cm3(Predicted)
Melting Point: 240 °C
Boiling Point: 374 °C at 760 mmHg
Flash Point: 180 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 15.71000
LogP: 3.66290
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Specification

The Piperazine,1-(2-chloroethyl)-4-(2-methoxyphenyl)-, with the CAS registry number 43091-72-1, is also known as 1-(2-Methoxyphenyl)-4-(2-chloroethyl)piperazine. This chemical's molecular formula is C13H21Cl3N2O and molecular weight is 327.68. Its systematic name is called 1-(2-chloroethyl)-4-(2-methoxyphenyl)piperazinediium dichloride.

Physical properties of Piperazine,1-(2-chloroethyl)-4-(2-methoxyphenyl)-: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 1.06; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 1.78; (5)ACD/BCF (pH 7.4): 31.26; (6)ACD/KOC (pH 5.5): 21.68; (7)ACD/KOC (pH 7.4): 380.4; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Flash Point: 180 °C; (11)Enthalpy of Vaporization: 62.13 kJ/mol; (12)Boiling Point: 374 °C at 760 mmHg; (13)Vapour Pressure: 8.61E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].ClCC[NH+]2CC[NH+](c1c(OC)cccc1)CC2
(2)InChI: InChI=1/C13H19ClN2O.2ClH/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16;;/h2-5H,6-11H2,1H3;2*1H
(3)InChIKey: VAZCTMNZAXXBKW-UHFFFAOYAB