ChemicalBook--->CAS DataBase List--->106261-49-8

106261-49-8

106261-49-8 Structure

106261-49-8 Structure
IdentificationMore
[Name]

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

106261-49-8
[Synonyms]

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate
4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOIC ACID DIHYDROCHLORIDE HEMIHYDRATE
4-[(4-METHYL-1-PIPERAZINYL)METHYL]BENZOIC ACID DIHYDROCHLORIDE HEMIHYDRATE
4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride
4-[(4-Methyl-1-piperaziny)methyl]benzoic acid
4-[(4-methyl-1-piperizino) methyl]benzoic acid dihydrochloride hemihydrate
[EINECS(EC#)]

600-728-4
[Molecular Formula]

C13H20Cl2N2O2
[MDL Number]

MFCD08060469
[Molecular Weight]

307.22
[MOL File]

106261-49-8.mol
Chemical PropertiesBack Directory
[Melting point ]

305-307°C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Methanol (Slightly, Heated), Water (Slightly)
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[color ]

White to Almost white
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C13H18N2O2.2ClH.H2O/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;1H2
[InChIKey]

ISHROKOWRJDOSN-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(C=C1)CN1CCN(CC1)C.Cl.Cl.O
[LogP]

0.6
[CAS DataBase Reference]

106261-49-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H334-H315-H302-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2933.59.8000
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

4-(4-Methylpiperazinomethyl)benzoic Acid, Dihydrochloride (cas# 106261-49-8) is a compound useful in organic synthesis.
[Synthesis]

P-cyanobenzyl chloride (1 g, 6.6 mmol) was dissolved in a mixed solvent of ethanol and water (10 mL, ethanol:water in mixed solvent = 2:1), methyl piperazine (1.2eq, 0.792 g, 7.92 mmol) was added, and the reaction was heated at 70 °C for 1-2 h. After the
Spectrum DetailBack Directory
[Spectrum Detail]

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride(106261-49-8)1HNMR
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