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1120-81-6

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Basic Information
CAS No.: 1120-81-6
Name: 2-PYRROLIDONE OXIME
Molecular Structure:
Molecular Structure of 1120-81-6 (2-PYRROLIDONE OXIME)
Formula: C4H8N2O
Molecular Weight: 100.12
Synonyms: 2-Pyrrolidinone,oxime (6CI,7CI,8CI,9CI);2-Pyrrolidone oxime;
Density: 1.34 g/cm3
Boiling Point: 214.5 °C at 760 mmHg
Flash Point: 83.5 °C
PSA: 44.62000
LogP: 0.48630
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Specification

The 2H-Pyrrol-5-amine,3,4-dihydro-N-hydroxy-, with its CAS registry number 1120-81-6, has the systematic name of N-hydroxy-3,4-dihydro-2H-pyrrol-5-amine. And it has the molecular formula of C4H8N2O and molecular weight of 100.12. When store it, you should keep it in the cool, dry and well-ventilated place.

The characteristics of 2H-Pyrrol-5-amine,3,4-dihydro-N-hydroxy- are as follows: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.18; (4)ACD/LogD (pH 7.4): -2.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 24.83 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 25.38 cm3; (15)Molar Volume: 74.6 cm3; (16)Polarizability: 10.06×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 83.5 °C; (20)Enthalpy of Vaporization: 52.44 kJ/mol; (21)Boiling Point: 214.5 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:ON/C1=N/CCC1
(2)InChI:InChI=1/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6)
(3)InChIKey:LWHAOTMEDNFAEN-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C4H8N2O/c7-6-4-2-1-3-5-4/h7H,1-3H2,(H,5,6) 
(5)Std. InChIKey:LWHAOTMEDNFAEN-UHFFFAOYSA-N