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Pyrrolidin-3-ol

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Name

Pyrrolidin-3-ol

EINECS 254-944-5
CAS No. 83220-72-8 Density 1.065 g/cm3
PSA 32.26000 LogP -0.33060
Solubility N/A Melting Point N/A
Formula C4H9NO Boiling Point 224.7 °C at 760 mmHg
Molecular Weight 87.1216 Flash Point 105.8 °C
Transport Information N/A Appearance N/A
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 83220-72-8 (DL-3-PYRROLIDINOL) Hazard Symbols IrritantXi
Synonyms

3-Pyrrolidinol;

Article Data 30

Pyrrolidin-3-ol Specification

The Pyrrolidin-3-ol, with the CAS registry number 83220-72-8, is also known as 3-Hydroxypyrroline. Its EINECS registry number is 254-944-5. This chemical's molecular formula is C4H9NO and molecular weight is 87.12. What's more, its systematic name is called Pyrrolidin-3-ol.

Physical properties about Pyrrolidin-3-ol are: (1)ACD/LogP: -1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -3.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 23.38 cm3; (15)Molar Volume: 81.7 cm3; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 1.065 g/cm3; (18)Flash Point: 105.8 °C; (19)Enthalpy of Vaporization: 53.63 kJ/mol; (20)Boiling Point: 224.7 °C at 760 mmHg; (21)Vapour Pressure: 0.018 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCNC1
(2) InChI: InChI=1/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2
(3) InChIKey: JHHZLHWJQPUNKB-UHFFFAOYAR

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