3,3-Dimethylpyrrolidin-2-one

3,3-dimethylpyrrolidin-2-one · DIMETHYLPYRROLIDINONE · 3,3-Dimethyl-2-pyrrolidone · 3,3-Dimethyl-2-pyrrolidinone · 3,3-dimethyl-2-pyrolidineone · 3,3-Dimethyl-2-oxopyrrolidine · 2-Pyrrolidinone, 3,3-diMethyl- · 3,3-Dimethylpyrrolidin-2-one - [D13691]

https://huagongshe.com/de/chemical/5114908

Molekülstruktur von 3,3-Dimethylpyrrolidin-2-one

Identifikatoren & physikalische Daten

CAS No.	4831-43-0
Summenformel	C6H11NO
Durchschnittliche Molmasse	113,16 g/mol
Monoisotopische Masse	113,08406397 g/mol
SMILES	CC1(C)CCNC1=O
InChIKey	IYZVTTRRGCJXGK-UHFFFAOYSA-N
PubChem CID	5114908
ChEMBL	CHEMBL294847
EC No.	842-240-6
DTXSID	DTXSID40408485

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	29,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	118
Schmelzpunkt	66°C
Siedepunkt	211.9°C (rough estimate)
Dichte	1.0223 (rough estimate)
Brechungsindex	1.4650 (estimate)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	16.70±0.40(Predicted)
InChI	InChI=1S/C6H11NO/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8)
InChIKey	IYZVTTRRGCJXGK-UHFFFAOYSA-N
SMILES	N1CCC(C)(C)C1=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Gefahrenklasse	IRRITANT