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| CAS No.: | 17342-08-4 |
|---|---|
| Name: | L-Pyroglutaminol |
| Article Data: | 71 |
| Molecular Structure: | |
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| Formula: | C5H9NO2 |
| Molecular Weight: | 115.132 |
| Synonyms: | 2-Pyrrolidinone,5-(hydroxymethyl)-, (S)-;(+)-5-(Hydroxymethyl)-2-pyrrolidinone;(5S)-5-(hydroxymethyl)-2-pyrrolidinone;(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone;(S)-5-(Hydroxymethyl)-2-pyrrolidinone;(S)-5-(Hydroxymethyl)-2-pyrrolidone;(s)-(+)-5-hydroxymethyl-2-pyrrolidinone; |
| EINECS: | -0 |
| Density: | 1.153 g/cm3 |
| Melting Point: | 79-80 °C(lit.) |
| Boiling Point: | 346 °C at 760 mmHg |
| Flash Point: | 163 °C |
| Solubility: | soluble in water |
| Appearance: | white to light yellow crystals or crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 49.33000 |
| LogP: | -0.41390 |
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Specification
The IUPAC name of 2-Pyrrolidinone,5-(hydroxymethyl)-, (5S)- is (5S)-5-(hydroxymethyl)pyrrolidin-2-one. With the CAS registry number 17342-08-4, it is also named as L-Pyroglutaminol. The product's categories are pharmacetical; pyrrolidine series; heterocyclic compounds; amides (chiral); chiral building blocks; synthetic organic chemistry. It is white to light yellow crystals or crystalline powder which is used in organic synthesis. And it is stable under normal temperature and pressure. Additionally, this chemical should be selaed in the container and stored in the cool and dry place.
The other characteristics of 2-Pyrrolidinone,5-(hydroxymethyl)-, (5S)- can be summarized as: (1)ACD/LogP: -2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 1.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 28.15 cm3; (14)Molar Volume: 99.8 cm3; (15)Polarizability: 11.16×10-24 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Enthalpy of Vaporization: 68.34 kJ/mol; (18)Vapour Pressure: 3.72E-06 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 115.063329; (22)MonoIsotopic Mass: 115.063329; (23)Topological Polar Surface Area: 49.3; (24)Heavy Atom Count: 8.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C1N[C@H](CO)CC1
2. InChI:InChI=1/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
3. InChIKey:HOBJEFOCIRXQKH-BYPYZUCNBT
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