2-Azetidinone,4,4-dimethyl- supplier

Name
beta-Isovalerolactam
EINECS
CAS No. 4879-95-2
Article Data3
CAS DataBase
Density 0.972 g/cm³
Solubility
Melting Point 166-172 °C
Formula C₅H₉NO
Boiling Point 212.1 °C at 760 mmHg
Molecular Weight 99.1326
Flash Point 107.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4-Dimethyl-2-azetidinone;4,4-Dimethylazetidin-2-one;
PSA 29.10000
LogP 0.61370

2-Azetidinone,4,4-dimethyl- Specification

The 2-Azetidinone,4,4-dimethyl-, with the CAS registry number 4879-95-2, is also known as 4,4-Dimethyl-2-azetidinone. This chemical's molecular formula is C₅H₉NO and molecular weight is 99.13. What's more, its systematic name is 4,4-dimethylazetidin-2-one.

Physical properties of 2-Azetidinone,4,4-dimethyl- are: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.94; (8)ACD/KOC (pH 7.4): 6.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 26.63 cm³; (15)Molar Volume: 101.9 cm³; (16)Polarizability: 10.55×10^-24cm³; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.972 g/cm³; (19)Flash Point: 107.8 °C; (20)Enthalpy of Vaporization: 44.84 kJ/mol; (21)Boiling Point: 212.1 °C at 760 mmHg; (22)Vapour Pressure: 0.176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(C)(C)C1
(2)InChI: InChI=1S/C5H9NO/c1-5(2)3-4(7)6-5/h3H2,1-2H3,(H,6,7)
(3)InChIKey: IGWGXZKGWFYOHE-UHFFFAOYSA-N

Product Name

beta-Isovalerolactam

2-Azetidinone,4,4-dimethyl- Specification

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