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CAS No.: | 68108-18-9 |
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Name: | (S)-4-Hydroxy-2-pyrrolidinone |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C4H7NO2 |
Molecular Weight: | 101.105 |
Synonyms: | 2-Pyrrolidinone,4-hydroxy-, (S)-;(4S)-4-Hydroxy-2-pyrrolidinone;(S)-(-)-4-Hydroxy-2-pyrrolidinone; |
Density: | 1.292 g/cm3 |
Melting Point: | 156-160 °C |
Boiling Point: | 363.6 °C at 760 mmHg |
Flash Point: | 173.7 °C |
Solubility: | Slightly soluble in water |
Appearance: | yellowish powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 22-24/25 |
PSA: | 49.33000 |
LogP: | -0.80400 |
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The 2-Pyrrolidinone,4-hydroxy-, (4S)-, with the cas register number 68108-18-9, has the systematic name of (4S)-4-hydroxypyrrolidin-2-one. And its product categories are various, including pyrrolidinone derivatives; drug intermediates; chiral.
The characteristics of this chemical are as following: (1)ACD/LogP: -2.55; (2)ACD/LogD (pH 5.5): -2.55; (3)ACD/LogD (pH 7.4): -2.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 ; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 23.51 cm3; (14)Molar Volume: 78.2 cm3; (15)Polarizability: 9.32 ×10-24 cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.292 g/cm3; (18)Flash Point: 173.7 °C; (19)Enthalpy of Vaporization: 70.57 kJ/mol; (20)Boiling Point: 363.6 °C at 760 mmHg; (21)Vapour Pressure: 9.26E-07 mmHg at 25°C; (22)Tautomer Count 3; (23)Exact Mass 101.047678; (24)MonoIsotopic Mass 101.047678; (25)Topological Polar Surface Area 49.3; (26)Heavy Atom Count 7; (27)Complexity 91.7.
When you deal with this chemical, you should be very cautious. It will be harmful and toxic if in contact with skin or if swallowed. And you could refer to the WGK Germany 3 to get more information.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C1NC[C@@H](O)C1
(2)InChI:InChI=1/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
(3)InChIKey:IOGISYQVOGVIEU-VKHMYHEABJ