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CAS No.: | 86070-82-8 |
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Name: | 3-Hydroxypyrrolidine hydrochloride |
Molecular Structure: | |
Formula: | C4H9NO.HCl |
Molecular Weight: | 123.58 |
Synonyms: | 3-Pyrrolidinol,hydrochloride (9CI);Pyrrolidin-3-ol Hydrochloride;Pyrrolidin-3-ol hydrochloride (1:1); |
Boiling Point: | 224.7 °C at 760 mmHg |
Flash Point: | 105.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 32.26000 |
LogP: | 0.47140 |
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The 3-Pyrrolidinol,hydrochloride (1:1), with the CAS registry number 86070-82-8, is also known as 3-Hydroxypyrrolidine hydrochloride. It belongs to the product categories of Alcohols and Derivatives; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Pyrrolidines. This chemical's molecular formula is C4H9NO.HCl and molecular weight is 123.58. What's more, its systematic name is Pyrrolidin-3-ol hydrochloride.
Physical properties of 3-Pyrrolidinol,hydrochloride (1:1)e 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)Flash Point: 105.8 °C; (14)Enthalpy of Vaporization: 53.63 kJ/mol; (15)Boiling Point: 224.7 °C at 760 mmHg; (16)Vapour Pressure: 0.018 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCC1O.Cl
(2)InChI: InChI=1S/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H
(3)InChIKey: QPMSJEFZULFYTB-UHFFFAOYSA-N