Basic information
- CAS
71260-16-7- Standard SMILES
CC(C)C(=O)N1CCNCC1- InChIKey
JPULDXYXDMNTNT-UHFFFAOYSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
- Monoisotopic mass
- 156.12626313
Names & identifiers
- Preferred name
- 2-Methyl-1-(piperazin-1-yl)propan-1-one
- IUPAC
- 2-methyl-1-piperazin-1-ylpropan-1-one
- English name
- 1-(2-METHYLPROPANOYL)-PIPERAZINE
- Molecular formula
- C8H16N2O
- Molecular weight
- 156.23
Names & synonyms
2-methyl-1-(piperazin-1-yl)propan-1-oneRefChem:474874674-522-871260-16-71-(2-Methylpropanoyl)-piperazine1-(2-methylpropanoyl)piperazine2-methyl-1-piperazin-1-ylpropan-1-oneMFCD049733441-Propanone,2-methyl-1-(1-piperazinyl)-1-isobutyrylpiperazinePiperazine, 1-(2-methyl-1-oxopropyl)-2-methyl-1-piperazin-1-yl-propan-1-one
Show more names
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochlorideOlaparib Impurity 631-isobutanoylpiperazine1-ISOBUTYRYLPIPERAZINE HYDROCHLORIDE
2-Methyl-1-(1-piperazinyl)-1-propanone1-(2-methylpropionyl)piperazineAKOS000117362CS-0124433isobutyryl-piperazineFT-06945291-(2-methylpropionyl)pipeSCHEMBL187976
Database identifiers
- CAS
71260-16-7- PubChem CID
- 2761409
- DTXSID
DTXSID50375755- EC Number
- 674-522-8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 78 °C · 78 °C
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 8.37 · 8.37±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- CAS DataBase Reference
- 71260 · 71260-16-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H336-H304-H410-H225
- Precautionary statements
- 501 · P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Harmful
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09,GHS02
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26
- Hazard statements
- H315-H336-H304-H410-H225
- Precautionary statements
- P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Suppliers34 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
Related reactions
27 records
Compound notes
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