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399580-64-4

Basic Information
CAS No.: 399580-64-4
Name: 2-(Morpholin-3-yl)ethanol
Article Data: 1
Molecular Structure:
Molecular Structure of 399580-64-4 (2-(Morpholin-3-yl)ethanol)
Formula: C6H13NO2
Molecular Weight: 131.17
Synonyms: 2-(Morpholin-3-yl)ethanol; LogP
Density: 1.019g/cm3
Boiling Point: 255.4°C at 760 mmHg
Flash Point: 108.2°C
PSA: 41.49000
LogP: -0.31400
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Specification

The 2-(Morpholin-3-yl)ethanol, with the CAS registry number 748812-53-5.It belongs to the product Organic matters.This chemical's molecular formula is C6H13NO2 and molecular weight is 131.17. What's more,Its systematic name is 2-(Morpholin-3-yl)ethanol.

Physical properties about 2-(Morpholin-3-yl)ethanol are: (1)ACD/LogP: -0.884; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.68; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 34.262 cm3; (14)Molar Volume: 128.608 cm3; (15)Surface Tension: 37.5900001525879 dyne/cm; (16)Density: 1.02 g/cm3; (17)Flash Point: 108.243 °C; (18)Enthalpy of Vaporization: 57.25 kJ/mol; (19)Boiling Point: 255.368 °C at 760 mmHg; (20)Vapour Pressure: 0.0020000000949949 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:C1COCC(N1)CCO;
(2)Std. InChI:InChI=1S/C6H13NO2/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2;
(3)Std. InChIKey:TVPDWWYLCZDJKD-UHFFFAOYSA-N;