1-Methylpiperazin-2-one

HCID 4399042
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Basic information

CAS
59702-07-7
Standard SMILES
CN1CCNCC1=O
InChIKey
KJCIMSSFGUGTGA-UHFFFAOYSA-N
Molecular formula
C5H10N2O
Average molar mass
114.15 g/mol
Monoisotopic mass
114.07931295

Names & identifiers

Preferred name
1-Methylpiperazin-2-one
IUPAC
1-methylpiperazin-2-one
English name
1-Methylpiperazin-2-one
Molecular formula
C5H10N2O
Molecular weight
114.15

Names & synonyms

1-methylpiperazin-2-one59702-07-7DTXSID40402847RefChem:232082DTXCID20353702696-637-21-Methyl-piperazin-2-one1-Methyl-2-piperazinoneMFCD001025722-piperazinone, 1-methyl-, hydrochloridePiperazinone, 1-methyl-4-methyl-3-oxo-piperazine
Show more names
1-methylazine-2-one1-Methylpiperazin-2-on-Methyl-piperazin-2-one1-METHYL-PIPERAZINE-2-ONE2-Piperazinone, 1-methyl-1-Methylpiperazin-2-one ,97%1-Methylpiperazin-2-one ,98%1-methylpiperazin-2-one(SALTDATA: HCl)
methylpiperazinoneN-methyl piperazoneN-methylpiperazinone1-methylpiperazinoneN-methyl-piperazinonemethylpiperazin-2-one1-methyl-2-oxopiperazineSCHEMBL4871

Database identifiers

CAS
59702-07-7
PubChem CID
4399042
DTXSID
DTXSID40402847
EC Number
696-637-2

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Boiling point
242.1 · 242.1±33.0 °C(Predicted)
Density
1.037 · 1.037±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
Liquid
pka
7.42 · 7.42±0.20(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code
2933599590
risk_code
43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
36/37

Chemistry & industry

Upstream & downstream products

Suppliers100 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

Related reactions

63 records
New reaction record

Compound notes

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