CAS No.5021-33-0,(1-methylpyrrolidin-3-yl)methanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5021-33-0
Name:	(1-methylpyrrolidin-3-yl)methanol

Formula:	C₆H₁₃NO
Molecular Weight:	115.175
Synonyms:	(1-Methylpyrrolidin-3-yl)methanol;3-(Hydroxymethyl)-1-methylpyrrolidine;NSC 165644;NSC 239753;
Density:	0.973 g/cm³
Boiling Point:	141.7 °C at 760 mmHg
Flash Point:	41.2 °C
PSA:	23.47000
LogP:	-0.13170

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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