Basic information
- CAS
762240-09-5- Standard SMILES
c1cnn(C2CCNCC2)c1- InChIKey
WGNPNAOPVBYTKD-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.11094742
Names & identifiers
- Preferred name
- 4-(1H-Pyrazol-1-yl)piperidine
- IUPAC
- 4-pyrazol-1-ylpiperidine
- English name
- Piperidine, 4-(1H-pyrazol-1-yl)- (9CI)
- Molecular formula
- C8H13N3
- Molecular weight
- 151.21
Names & synonyms
4-(1H-pyrazol-1-yl)piperidine762240-09-5DTXSID90611285RefChem:286797DTXCID30562040820-011-14-pyrazol-1-ylpiperidineMFCD099989874-(Pyrazol-1-yl)piperidinePiperidine, 4-(1H-pyrazol-1-yl)- (9CI)4-Pyrazol-1-yl-piperidine4-(1-Pyrazolyl)piperidine
Show more names
Crizotinib Impurity 1864-(1H-pyrazole-1-yl)piperidinePiperidine,4-(1H-pyrazol-1-yl)
SCHEMBL459272CHEMBL4558627WGNPNAOPVBYTKDSCHEMBL592596SCHEMBL1455913SCHEMBL1559522WGNPNAOPVBYTKD-UHFFFAOYSA-NAKOS005259421
Database identifiers
- CAS
762240-09-5- PubChem CID
- 21193045
- DTXSID
DTXSID90611285- ChEMBL
CHEMBL4558627- EC Number
- 820-011-1
- Nikkaji
- J3.092.614E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 272.5 · 272.5±33.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.83 · 9.83±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers51 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
7 records
Compound notes
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