ChemicalBook--->CAS DataBase List--->514209-42-8

514209-42-8

514209-42-8 Structure

514209-42-8 Structure
IdentificationBack Directory
[Name]

3-(4-Methylpiperazin-1-ylmethyl)benzoic acid
[CAS]

514209-42-8
[Synonyms]

AKOS BB-9414
3-(4-Methylpiperazin-1-ylmethyl)benzoicacid95%
3-[(4-methyl-1-piperazinyl)methyl]benzoic acid
3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZOIC ACID
3-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID 95%
Benzoic acid, 3-[(4-methyl-1-piperazinyl)methyl]-
3-(4-Methyl-piperazin-1-ylmethyl)-benzoic acid ,98%
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C13H18N2O2
[MDL Number]

MFCD01202932
[MOL File]

514209-42-8.mol
[Molecular Weight]

234.29
Chemical PropertiesBack Directory
[Boiling point ]

383.7±32.0 °C(Predicted)
[density ]

1.174±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[form ]

solid
[pka]

4.28±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C13H18N2O2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)
[InChIKey]

SMSCFZLMSBEZQU-UHFFFAOYSA-N
[SMILES]

O=C(O)C1=CC=CC(CN2CCN(C)CC2)=C1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36-34-22
[Safety Statements ]

26-45-36/37/39-23
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

3-?(4-?Methylpiperazin-?1-?ylmethyl)?benzoic Acid is a reagent used in the preparation of highly potent M3 muscarinic acetylcholine receptors.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-Methylpiperazin-1-ylmethyl)benzoic acid(514209-42-8)1HNMR
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