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| CAS No.: | 100243-39-8 |
|---|---|
| Name: | (S)-3-Hydroxypyrrolidine |
| Article Data: | 30 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C4H9NO |
| Molecular Weight: | 87.1216 |
| Synonyms: | 3-Pyrrolidinol,(S)-;(+)-3-Pyrrolidinol;(3S)-3-Hydroxypyrrolidine;(3S)-3-Pyrrolidinol;(3S)-Pyrrolidinol;(S)-(+)-3-Pyrrolidinol;(S)-3-Pyrrolidinol;3-(S)-Hydroxypyrrolidine; |
| EINECS: | -0 |
| Density: | 1.078 g/cm3 |
| Melting Point: | 15 °C |
| Boiling Point: | 224.7 °C at 760 mmHg |
| Flash Point: | 105.8 °C |
| Solubility: | Fully miscible in water. |
| Appearance: | Clear light yellow to yellow liquid after melting |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-40 |
| Safety: | 26-37/39-36-22 |
| PSA: | 32.26000 |
| LogP: | -0.33060 |
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Specification
The (S)-3-Hydroxypyrrolidine with CAS registry number of 100243-39-8 is also known as 3-Pyrrolidinol, (3S)-. The IUPAC name is (3S)-Pyrrolidin-3-ol. It belongs to product categories of Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; pharmacetical; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry. In addition, the formula is C4H9NO and the molecular weight is 87.12. This chemical is a clear light yellow to yellow liquid after melting and should be sealed in cool, dry place away from oxidants, carbon dioxide at the temperature of 2-8 °C.
Physical properties about (S)-3-Hydroxypyrrolidine are: (1)XLogP3-AA: -0.7; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 2; (4)Exact Mass: 87.068414; (5)MonoIsotopic Mass: 87.068414; (6)Topological Polar Surface Area: 32.3; (7)Heavy Atom Count: 6; (8)Complexity: 46.8; (9)Defined Atom StereoCenter Count: 1; (10)Covalently-Bonded Unit Count: 1.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. However, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CNCC1O
2. Isomeric SMILES: C1CNC[C@H]1O
3. InChI: InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m0/s1
4. InChIKey: JHHZLHWJQPUNKB-BYPYZUCNSA-N