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(S)-3-Hydroxypyrrolidine

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(S)-3-Hydroxypyrrolidine

EINECS -0
CAS No. 100243-39-8 Density 1.078 g/cm3
PSA 32.26000 LogP -0.33060
Solubility Fully miscible in water. Melting Point 15 °C
Formula C4H9NO Boiling Point 224.7 °C at 760 mmHg
Molecular Weight 87.1216 Flash Point 105.8 °C
Transport Information N/A Appearance Clear light yellow to yellow liquid after melting
Safety 26-37/39-36-22 Risk Codes 36/37/38-40
Molecular Structure Molecular Structure of 100243-39-8 ((S)-3-Hydroxypyrrolidine) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

3-Pyrrolidinol,(S)-;(+)-3-Pyrrolidinol;(3S)-3-Hydroxypyrrolidine;(3S)-3-Pyrrolidinol;(3S)-Pyrrolidinol;(S)-(+)-3-Pyrrolidinol;(S)-3-Pyrrolidinol;3-(S)-Hydroxypyrrolidine;

Article Data 30

(S)-3-Hydroxypyrrolidine 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

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