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(S)-4-Hydroxy-2-pyrrolidinone

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Name

(S)-4-Hydroxy-2-pyrrolidinone

EINECS N/A
CAS No. 68108-18-9 Density 1.292 g/cm3
PSA 49.33000 LogP -0.80400
Solubility Slightly soluble in water Melting Point 156-160 °C
Formula C4H7NO2 Boiling Point 363.6 °C at 760 mmHg
Molecular Weight 101.105 Flash Point 173.7 °C
Transport Information N/A Appearance yellowish powder
Safety 22-24/25 Risk Codes 22-41
Molecular Structure Molecular Structure of 68108-18-9 ((S)-4-Hydroxy-2-pyrrolidinone) Hazard Symbols Xn
Synonyms

2-Pyrrolidinone,4-hydroxy-, (S)-;(4S)-4-Hydroxy-2-pyrrolidinone;(S)-(-)-4-Hydroxy-2-pyrrolidinone;

Article Data 16

(S)-4-Hydroxy-2-pyrrolidinone Specification

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

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