1-(6-Methylpyrazin-2-Yl)Piperidine-3-Carboxylic Acid
Basic information
- CAS
930111-02-7- Standard SMILES
Cc1cncc(N2CCCC(C(=O)O)C2)n1- InChIKey
TTWSTFTZNIMXTA-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642673
Names & identifiers
- Preferred name
- 1-(6-Methylpyrazin-2-Yl)Piperidine-3-Carboxylic Acid
- IUPAC
- 1-(6-methylpyrazin-2-yl)piperidine-3-carboxylic acid
- English name
- 1-(6-Methylpyrazin-2-yl)piperidine-3-carboxylic acid
- Molecular formula
- C11H15N3O2
- Molecular weight
- 221.26
Names & synonyms
1-(6-Methylpyrazin-2-yl)piperidine-3-carboxylic acid930111-02-7DTXSID20640306RefChem:426810DTXCID30591057109-129-8MFCD09879914SBB096153DB-079457CS-0325750H418191-(6-Methylpyrazin-2-yl)piperidine-3-carboxylicacid
Show more names
1-(6-Methylpyrazin-2-yl)piperidine-3-carboxylicacid97%3-Piperidinecarboxylic acid, 1-(6-methyl-2-pyrazinyl)-1-(6-Methylpyrazin-2-yl)piperidine-3-carboxylic acid 97%1-(6-Methylpyrazin-2-yl)nipecotic acid, 2-(3-Carboxypiperidin-1-yl)-6-methylpyrazine
Database identifiers
- CAS
930111-02-7- PubChem CID
- 24229596
- DTXSID
DTXSID20640306- EC Number
- 109-129-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 185 · 185-186.5°C
- Boiling point
- 437.7 · 437.7±45.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.20(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 22
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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