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83220-72-8

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Basic Information
CAS No.: 83220-72-8
Name: DL-3-PYRROLIDINOL
Article Data: 30
Molecular Structure:
Molecular Structure of 83220-72-8 (DL-3-PYRROLIDINOL)
Formula: C4H9NO
Molecular Weight: 87.1216
Synonyms: 3-Pyrrolidinol;
EINECS: 254-944-5
Density: 1.065 g/cm3
Boiling Point: 224.7 °C at 760 mmHg
Flash Point: 105.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37
PSA: 32.26000
LogP: -0.33060
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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