Basic information
- CAS
774479-26-4- Standard SMILES
c1cc(C2CCCNC2)[nH]n1- InChIKey
DZMZZFAVAYXTJD-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
Names & identifiers
- Preferred name
- 3-(1H-pyrazol-5-yl)piperidine
- IUPAC
- 3-(1H-pyrazol-5-yl)piperidine
- English name
- Piperidine, 3-(1H-pyrazol-3-yl)- (9CI)
- Molecular formula
- C8H13N3
- Molecular weight
- 151.21
Names & synonyms
3-(1H-pyrazol-5-yl)piperidine774479-26-4RefChem:489832828-249-83-(1H-pyrazol-3-yl)piperidinepiperidine, 3-(1H-pyrazol-3-yl)-, dihydrochloridePiperidine, 3-(1H-pyrazol-3-yl)-, hydrochloride (1Piperidine, 3-(1H-pyrazol-3-yl)- (9CI)SCHEMBL9987312SCHEMBL21193137DZMZZFAVAYXTJD-UHFFFAOYSA-NALBB-026727
Show more names
Piperidine, 3-(1H-pyrazol-3-yl)-
ZFB47926MFCD10700264AKOS016344278AKOS017258514CCG-209448SB41340NCGC00353241-02BS-13494
Database identifiers
- CAS
774479-26-4- PubChem CID
- 42961301
- EC Number
- 828-249-8
Properties
Computed structural properties
- XLogP
- 0.4
- 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
- 335.804 · 335.804±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.795 · 13.795±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
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
- H335-H302-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
江苏药泽医药科技有限公司18962082606 · [email protected]
Related reactions
5 records
Compound notes
Loading…