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(1)-1-Methylpyrrolidine-2-methanol

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(1)-1-Methylpyrrolidine-2-methanol

EINECS 250-312-8
CAS No. 30727-24-3 Density 0.973 g/cm3
PSA 23.47000 LogP 0.01080
Solubility N/A Melting Point N/A
Formula C6H13NO Boiling Point 164.8 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 63.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30727-24-3 ((±)-1-methylpyrrolidine-2-methanol) Hazard Symbols N/A
Synonyms

(±)-1-Methylpyrrolidine-2-methanol;(1-Methylpyrrolidin-2-yl)methanol;

Article Data 10

(1)-1-Methylpyrrolidine-2-methanol Specification

The (1)-1-Methylpyrrolidine-2-methanol, with the CAS registry number of 30727-24-3, is also known as (±)-1-Methylpyrrolidine-2-methanol. Its EINECS registry number is 250-312-8. The molecular formula of this chemical is C6H13NO and its molecular weight is 115.1735. What's more, its systematic name is (1-Methylpyrrolidin-2-yl)methanol.

Physical properties about (1)-1-Methylpyrrolidine-2-methanol are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -1.94; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 13.06×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.973 g/cm3; (19)Flash Point: 63.3 °C; (20)Enthalpy of Vaporization: 46.74 kJ/mol; (21)Boiling Point: 164.8 °C at 760 mmHg; (22)Vapour Pressure: 0.649 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1N(C)CCC1
(2) InChI: InChI=1/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
(3) InChIKey: VCOJPHPOVDIRJK-UHFFFAOYAK

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