Basic information
- CAS
117701-75-4- Standard SMILES
O=C(CO)N1CCNCC1- InChIKey
YKZWLZLFBNIZCC-UHFFFAOYSA-N- Molecular formula
- C6H12N2O2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.08987763
Names & identifiers
- Preferred name
- 2-Hydroxy-1-(piperazin-1-yl)ethan-1-one
- IUPAC
- 2-hydroxy-1-piperazin-1-ylethanone
- English name
- 2-hydroxy-1-(1-piperazinyl)Ethanone
- Molecular formula
- C6H12N2O2
- Molecular weight
- 144.17
Names & synonyms
2-hydroxy-1-(piperazin-1-yl)ethan-1-one117701-75-4DTXSID30594265RefChem:261571DTXCID60545028821-981-92-hydroxy-1-piperazin-1-ylethanoneMFCD11106307Ethanone, 2-hydroxy-1-(1-piperazinyl)-2-hydroxy-1-piperazin-1-yl-ethanone2-HYDROXY-1-(PIPERAZIN-1-YL)ETHANONE2-hydroxy-1-(1-piperazinyl)Ethanone
Show more names
2-hydroxy-1-(azine-1-yl)ethylone
SCHEMBL4257SCHEMBL9567N-(2-hydroxyacetyl)piperazineSCHEMBL424151SCHEMBL29104712-Oxo-2-piperazin-1-ylethanolYKZWLZLFBNIZCC-UHFFFAOYSA-NSEA70175
Database identifiers
- CAS
117701-75-4- PubChem CID
- 18506884
- DTXSID
DTXSID30594265- EC Number
- 821-981-9
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 325.8 · 325.8±37.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- 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
Suppliers18 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
上海智乾生物科技有限公司[email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
11 records
Compound notes
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