2-(1H-pyrazol-3-yl)piperidine
Basic information
- CAS
1185535-24-3- Standard SMILES
c1cc(C2CCCCN2)[nH]n1- InChIKey
JNOYHGAZDBVHEM-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.11094743
Names & identifiers
- Preferred name
- 2-(1H-pyrazol-3-yl)piperidine
- IUPAC
- 2-(1H-pyrazol-5-yl)piperidine
- English name
- 2-(1H-pyrazol-5-yl)piperidine
- Molecular formula
- C8H13N3
- Molecular weight
- 151.21
Names & synonyms
2-(1H-pyrazol-3-yl)piperidine1185535-24-3RefChem:451499962-077-52-(1H-pyrazol-5-yl)piperidine2-(1H-Pyrazol-5-yl)piperidine dihydrochlorideMFCD147076762-(1H-Pyrazol-3-yl)-piperidineSCHEMBL2067805CHEMBL4558421ALBB-029961KXB53524
Show more names
Valproic Acid Impurity 59Piperidine, 2-(1H-pyrazol-3-yl)-
STX105166AKOS015920502AKOS022904476CCG-209429PS-0097DB-345933EN300-113068G42764
Database identifiers
- CAS
1185535-24-3- PubChem CID
- 46737142
- ChEMBL
CHEMBL4558421- EC Number
- 962-077-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 327.7 · 327.7±30.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 14.31 · 14.31±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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