Basic information
- CAS
1004195-30-5- Standard SMILES
CCn1nc(C)c(CN2CCNCC2)c1C- InChIKey
KCZKNOAHLBHRNC-UHFFFAOYSA-N- Molecular formula
- C12H22N4
- Average molar mass
- 222.33 g/mol
- Monoisotopic mass
- 222.18444672
Names & identifiers
- Preferred name
- 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
- IUPAC
- 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazine
- English name
- 1-(1-Ethyl-3,5-dimethyl-1 H-pyrazol-4-ylmethyl)-piperazine
- Molecular formula
- C12H22N4
- Molecular weight
- 222.33
Names & synonyms
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine1-((1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl)piperazineRefChem:418190859-712-21004195-30-51-[(1-ethyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl]-piperazine1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazineMFCD067393511-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-ylmethyl)-piperazine1-(1-ethyl-3,5-dimethyl-1 h-pyrazol-4-ylmethyl)-piperazineSBB0233071-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazine
Show more names
AKOS B028568ART-CHEM-BB B028568Piperazine, 1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine(SALTDATA: FREE)
[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazineCHEMBL3445220DTXSID00428326ALBB-002192BBL037413STK350470AKOS000313080FE113867
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 342.5 · 342.5±37.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 9.11 · 9.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- 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.
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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