2-(4-Methylpiperazin-1-ylmethyl)benzoic acid
Basic information
- CAS
514209-40-6- Standard SMILES
CN1CCN(Cc2ccccc2C(=O)O)CC1- InChIKey
QFGAZCPGMRUCDN-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-ylmethyl)benzoic acid
- IUPAC
- 2-[(4-methylpiperazin-1-yl)methyl]benzoic acid
- English name
- 2-(4-Methylpiperazin-1-ylmethyl)benzoic acid
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
2-(4-Methylpiperazin-1-ylmethyl)benzoic acid514209-40-62-[(4-methylpiperazin-1-yl)methyl]benzoic AcidMFCD067977772-((4-methylpiperazin-1-yl)methyl)benzoic acid2-[(4-methyl-1-piperazinyl)methyl]benzoic acidAKOS BB-9397SCHEMBL3454127DTXSID90406375SBB067525AKOS000293144GS-4463
Show more names
2-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID 95%Benzoic acid, 2-[(4-methyl-1-piperazinyl)methyl]-
SY109758DB-0017522-(4-Methylpiperazin-1-ylmethyl)benzoicacid2-[(4-methylpiperazinyl)methyl]benzoic acidCS-01179182-(4-Methylpiperazin-1-ylmethyl)benzoicacid95%EN300-1196687F077745
Database identifiers
- CAS
514209-40-6- PubChem CID
- 4769784
- DTXSID
DTXSID90406375
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-White Powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-(4-Methylpiperazin-1-ylmethyl)benzoic Acidis a reagent used in organic synthesis such as kinase inhibitors for hyperproliferative diseases.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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