Basic information
- CAS
38029-97-9- Standard SMILES
CN1CCN(c2ncccc2C(=O)O)CC1- InChIKey
IKHWOUUYKLSAGZ-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642673
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-yl)nicotinic acid
- IUPAC
- 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
- English name
- 2-(4-Methyl-1-piperazinyl)nicotinic acid
- Molecular formula
- C11H15N3O2
- Molecular weight
- 221.26
Names & synonyms
38029-97-92-(4-Methylpiperazin-1-yl)nicotinic acid2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid2-(4-METHYL-1-PIPERAZINYL)NICOTINIC ACIDMFCD006614382-(4-Methyl-1-piperazinyl)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-(4-methyl-1-piperazinyl)-BRN 0616391Acide (methyl-4 piperazinyl-1)-2 nicotinique [French]Nicotinic acid, 2-(4-methyl-1-piperazinyl)-2-(4-Methylpiperazin-1-yl)nicotinicacidAcide (methyl-4 piperazinyl-1)-2 nicotinique
Show more names
3-Pyridinecarboxylic acid,2-(4-methyl-1-piperazinyl)-
Oprea1_137946SCHEMBL593819DTXSID80191445SBB052907AKOS000214212SY456472TS-00514CS-0364598
Database identifiers
- CAS
38029-97-9- PubChem CID
- 217029
- DTXSID
DTXSID80191445
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 396.6 · 396.6±42.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.83 · 1.83±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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