4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride supplier

Name
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
EINECS 600-728-4
CAS No. 106261-49-8
Density 1.345g/cm3
Solubility Soluble in water
Melting Point 305-307 °C
Formula C₁₃H₂₀Cl₂N₂O₂
Boiling Point 377.2 °C at 760 mmHg
Molecular Weight 307.2161
Flash Point 181.9 °C
Transport Information
Appearance Powder
Safety 22-26-36/37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, 4-[(4-methyl-1-piperazinyl)methyl]-, dihydrochloride (9CI);4-[(4-Methyl-1-piperazinyl)methyl]benzoicacid dihydrochloride;4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate;Benzoic acid dihydrochloride;
PSA 53.01000
LogP 2.54770

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Specification

The CAS registry number of Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2) is 106261-49-8. The systematic name is 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride. In addition, the molecular formula is C₁₃H₂₀Cl₂N₂O₂. What's more, it belongs to the class of API Intermediates. And it should be stored in a cool and dry place.

Physical properties about Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2) are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): -1.89; (3)ACD/LogD (pH 7.4): -1.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 32.78 Å²; (12)Flash Point: 181.9 °C; (13)Enthalpy of Vaporization: 65.92 kJ/mol; (14)Boiling Point: 377.2 °C at 760 mmHg; (15)Vapour Pressure: 2.32E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. And you should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(O)c1ccc(cc1)CN2CCN(CC2)C
(2)InChI: InChI=1/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H
(3)InChIKey: ISHROKOWRJDOSN-UHFFFAOYAL

Product Name

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Specification

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