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3-Pyrrolidinemethanol,1-methyl-

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Name

3-Pyrrolidinemethanol,1-methyl-

EINECS N/A
CAS No. 5021-33-0 Density 0.973 g/cm3
PSA 23.47000 LogP -0.13170
Solubility N/A Melting Point N/A
Formula C6H13NO Boiling Point 141.7 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 41.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5021-33-0 ((1-methylpyrrolidin-3-yl)methanol) Hazard Symbols N/A
Synonyms

(1-Methylpyrrolidin-3-yl)methanol;3-(Hydroxymethyl)-1-methylpyrrolidine;NSC 165644;NSC 239753;

 

3-Pyrrolidinemethanol,1-methyl- Specification

The 3-Pyrrolidinemethanol,1-methyl-, with the CAS registry number 5021-33-0, is also known as (1-Methyl-3-pyrrolidinyl)methanol. This chemical's molecular formula is C6H13NO and molecular weight is 115.1735. What's more, both its IUPAC name and systematic name are the same which is called (1-Methylpyrrolidin-3-yl)methanol.

Physical properties about 3-Pyrrolidinemethanol,1-methyl- are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.468; (8)Molar Refractivity: 32.95 cm3; (9)Molar Volume: 118.3 cm3; (10)Surface Tension: 32.2 dyne/cm; (11)Density: 0.973 g/cm3; (12)Flash Point: 41.2 °C; (13)Enthalpy of Vaporization: 44.14 kJ/mol; (14)Boiling Point: 141.7 °C at 760 mmHg; (15)Vapour Pressure: 2.36 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CCN(C)C1
(2) InChI: InChI=1/C6H13NO/c1-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
(3) InChIKey: NPWMWLAPRVMNBN-UHFFFAOYAK

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