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27076-30-8

Basic Information
CAS No.: 27076-30-8
Name: 3-[(2-hydroxyethyl)amino]propionamide
Article Data: 3
Molecular Structure:
Molecular Structure of 27076-30-8 (3-[(2-hydroxyethyl)amino]propionamide)
Formula: C5H12N2O2
Molecular Weight: 132.162
Synonyms: 3-((2-Hydroxyethyl)amino)propionamide;
EINECS: 248-211-9
Density: 1.118 g/cm3
Boiling Point: 395 °C at 760 mmHg
Flash Point: 192.7 °C
Solubility: 808.9g/L at 25℃
PSA: 76.34000
LogP: -0.01570
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Specification

The Propanamide,3-[(2-hydroxyethyl)amino]-, with the CAS registry number 27076-30-8, is also known as 3-((2-Hydroxyethyl)amino)propionamide. Its EINECS number is 248-211-9. This chemical's molecular formula is C5H12N2O2 and molecular weight is 132.16. What's more, its systematic name is N3-(2-hydroxyethyl)-β-alaninamide.

Physical properties of Propanamide,3-[(2-hydroxyethyl)amino]- are: (1)ACD/LogP: -2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.92; (4)ACD/LogD (pH 7.4): -3.34; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 33.9 cm3; (15)Molar Volume: 118.1 cm3; (16)Polarizability: 13.44×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 192.7 °C; (20)Enthalpy of Vaporization: 74.58 kJ/mol; (21)Boiling Point: 395 °C at 760 mmHg; (22)Vapour Pressure: 7.06E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-ethanol and acrylamide at the temperature of 40-45°C. This reaction will need solvent ethanol with the reaction time of 3 hours. The yield is about 56.45%.

Propanamide,3-[(2-hydroxyethyl)amino]- can be prepared by 2-amino-ethanol and acrylamide at the temperature of 40-45°C

Uses of Propanamide,3-[(2-hydroxyethyl)amino]-: it can be used to produce 3-[1-(2-hydroxy-ethyl)-3-phenyl-thioureido]-propionamide at the temperature of 80°C. It will need solvent ethanol with the reaction time of 1 hour. The yield is about 92%.

Propanamide,3-[(2-hydroxyethyl)amino]- can be used to produce 3-[1-(2-hydroxy-ethyl)-3-phenyl-thioureido]-propionamide at the temperature of 80°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCNCCO
(2)Std. InChI: InChI=1S/C5H12N2O2/c6-5(9)1-2-7-3-4-8/h7-8H,1-4H2,(H2,6,9)
(3)Std. InChIKey: WRLAXUYIDLSRHV-UHFFFAOYSA-N