Name: 1-(O-TOLYL)PIPERAZINE DIHYDROCHLORIDE
SKU: 55974-34-0

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Basic Information

Molecular Structure:
CAS No.:	55974-34-0
Name:	1-(O-TOLYL)PIPERAZINE DIHYDROCHLORIDE

Formula:	C₁₁H₁₆N₂^.2(HCl)
Molecular Weight:	249.183
Synonyms:	Piperazine,1-(2-methylphenyl)-, dihydrochloride (9CI);1-(2-Methylphenyl)piperazinedihydrochloride;1-(2-Tolyl)piperazine dihydrochloride;1-(o-Tolyl)piperazinedihydrochloride;4-(2-Methylphenyl)piperazine dihydrochloride;
EINECS:	259-930-2
Boiling Point:	301.6 °C at 760 mmHg
Flash Point:	138.8 °C
Hazard Symbols:	T
Risk Codes:	36/37/38-24-22
Safety:	45-36/37/39-26
PSA:	15.27000
LogP:	3.40240

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Specification

The 1-(2-Methylphenyl)piperazine dihydrochloride with the CAS number 55974-34-0 is also called Piperazine,1-(2-methylphenyl)-, hydrochloride (1:2). Its molecular formula is C₁₁H₁₆N₂^.2(HCl). The EINECS registry number is 259-930-2. This chemical should be stored in dry and cool environment.

The properties of the 1-(2-Methylphenyl)piperazine dihydrochloride are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 9.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Enthalpy of Vaporization: 54.18 kJ/mol; (14)Vapour Pressure: 0.00104 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed and toxic in contact with skin. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.c1c(c(ccc1)N2CCNCC2)C
(2)InChI: InChI=1/C11H16N2.2ClH/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H
(3)InChIKey: NCENNBIPRYOJSP-UHFFFAOYAF