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HCID 4399042Erstellt: 27. Oktober 2026

1-Methylpiperazin-2-one

1-methylazine-2-one · 1-Methylpiperazin-2-on · 1-Methyl-2-piperazinone · -Methyl-piperazin-2-one · 1-METHYL-PIPERAZIN-2-ONE · 1-METHYL-PIPERAZINE-2-ONE · 2-Piperazinone, 1-methyl- · 1-Methylpiperazin-2-one ,97%

https://huagongshe.com/de/chemical/4399042

Molekülstruktur von 1-Methylpiperazin-2-one

Identifikatoren & physikalische Daten

CAS No.	59702-07-7
Summenformel	C5H10N2O
Durchschnittliche Molmasse	114,15 g/mol
Monoisotopische Masse	114,07931295 g/mol
SMILES	CN1CCNCC1=O
InChIKey	KJCIMSSFGUGTGA-UHFFFAOYSA-N
PubChem CID	4399042
EC No.	696-637-2
DTXSID	DTXSID40402847

Chemische & physikalische Eigenschaften

XLogP	-0,9
Polarare Oberfläche (TPSA)	32,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	103
Siedepunkt	242.1±33.0 °C(Predicted)
Dichte	1.037±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	Liquid
pKa (Säurekonstante)	7.42±0.20(Predicted)
InChI	InChI=1S/C5H10N2O/c1-7-3-2-6-4-5(7)8/h6H,2-4H2,1H3
InChIKey	KJCIMSSFGUGTGA-UHFFFAOYSA-N
SMILES	N1(C)CCNCC1=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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 exposureRespiratory 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 Classes and Categories	Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode	2933599590
R-Sätze (R)	43
Gefahrensymbole	Xi
Sicherheitshinweise (S)	36/37

CAS No.

59702-07-7

Summenformel

C5H10N2O

Durchschnittliche Molmasse

114,15 g/mol

Monoisotopische Masse

114,07931295 g/mol

SMILES

CN1CCNCC1=O

InChIKey

KJCIMSSFGUGTGA-UHFFFAOYSA-N

PubChem CID

4399042

EC No.

696-637-2

DTXSID

DTXSID40402847

Chemische & physikalische Eigenschaften

XLogP

-0,9

Polarare Oberfläche (TPSA)

32,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

103

Siedepunkt

242.1±33.0 °C(Predicted)

Dichte

1.037±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Inert atmosphere,Room temperature

Aggregatzustand

Liquid

pKa (Säurekonstante)

7.42±0.20(Predicted)

InChI

InChI=1S/C5H10N2O/c1-7-3-2-6-4-5(7)8/h6H,2-4H2,1H3

InChIKey

KJCIMSSFGUGTGA-UHFFFAOYSA-N

SMILES

N1(C)CCNCC1=O

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (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 exposureRespiratory 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 Classes and Categories

Acute Tox. 4 (66.7%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Zollcode

2933599590

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

36/37