Basic information
- CAS
76816-54-1- Standard SMILES
CCC(=O)N1CCNCC1- InChIKey
YEQAMPOYHLICPF-UHFFFAOYSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.11061307
Names & identifiers
- Preferred name
- 1-(Piperazin-1-yl)propan-1-one
- IUPAC
- 1-piperazin-1-ylpropan-1-one
- English name
- 1-(PROPANOYL)-PIPERAZINE
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
76816-54-11-(Piperazin-1-yl)propan-1-oneDTXSID20397207RefChem:226967DTXCID10348066674-524-91-(Propanoyl)-piperazine1-piperazin-1-ylpropan-1-one1-propionylpiperazine1-Propanone,1-(1-piperazinyl)-MFCD049733461-(Propionyl)-piperazine
Show more names
Olaparib Impurity 62N-propionyl piperazine1-(1-piperazinyl)-1-propanone1-(piperazin-1-yl)propan-1-one HCl1-Propanoylpiperazine, 1-(1-Oxoprop-1-yl)piperazine
Piperazine, 1-(1-oxopropyl)-1-Propanoylpiperazine1-(propionyl)piperazine1-piperazinyl-1-propanoneSCHEMBL5348SCHEMBL92508SCHEMBL894533SCHEMBL2872323
Database identifiers
- CAS
76816-54-1- PubChem CID
- 3844375
- DTXSID
DTXSID20397207- ChEMBL
CHEMBL3400584- EC Number
- 674-524-9
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 78 °C · 78 °C
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- pka
- 8.44 · 8.44±0.10(Predicted)
- form
- liquid
- color
- Colourless
- InChI
- InChI=1S/C7H14N2O/c1-2-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
- InChIKey
- YEQAMPOYHLICPF-UHFFFAOYSA-N
- SMILES
- C(N1CCNCC1)(=O)CC
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-41-22
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599590
- risk_code
- 36/37/38-41-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海博邦医药科技有限公司21-68719686 18917373795 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
Aladdin Scientific[email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Related reactions
16 records
Compound notes
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