Benzeneacetamide,4-(2-oxiranylmethoxy)- supplier

Name
2-[4-(2,3-EPOXYPROPOXY)PHENYL]ACETAMIDE
EINECS 249-452-2
CAS No. 29122-69-8
Article Data6
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point 163.5-167oC
Formula C₁₁H₁₃NO₃
Boiling Point 432.1 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 245.2 °C
Transport Information
Appearance white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneacetamide, 4-(oxiranylmethoxy)-(9CI);1-(p-Carbamoylmethylphenoxy)-2,3-epoxypropane;4-(2,3-Epoxypropoxy)phenylacetamide;4-(2,3-Oxidopropoxy)phenylacetamide;Acetamide,2-[p-(2,3-epoxypropoxy)phenyl]- (8CI);2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide;benzeneacetamide, 4-(oxiranylmethoxy)-;
PSA 64.85000
LogP 1.19230

Benzeneacetamide,4-(2-oxiranylmethoxy)- Specification

The Benzeneacetamide,4-(2-oxiranylmethoxy)-, with the CAS registry number 29122-69-8 and EINECS registry number 249-452-2, has the systematic name of 2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide. It is a kind of white solid, and belongs to the following product categories: Aromatics Compounds; Aromatics; Heterocycles. And the molecular formula of the chemical is C₁₁H₁₃NO₃.

The characteristics of Benzeneacetamide,4-(2-oxiranylmethoxy)- are as followings: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.02; (8)ACD/KOC (pH 7.4): 23.02; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.07 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 54.88 cm³; (15)Molar Volume: 167.3 cm³; (16)Polarizability: 21.75×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.238 g/cm³; (19)Flash Point: 245.2 °C; (20)Enthalpy of Vaporization: 68.78 kJ/mol; (21)Boiling Point: 432.1 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-07 mmHg at 25°C.

Uses of Benzeneacetamide,4-(2-oxiranylmethoxy)-: It can react with butylamine to produce 2-[4-(3-butylamino-2-hydroxy-propoxy)-phenyl]-acetamide. The reaction time is 1.5 hours with temperature of 20°C, and the yield is about 82%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)Cc2ccc(OCC1OC1)cc2
(2)InChI: InChI=1/C11H13NO3/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H2,12,13)
(3)InChIKey: SOGKXLVYZZXFTN-UHFFFAOYAA

Product Name

2-[4-(2,3-EPOXYPROPOXY)PHENYL]ACETAMIDE

Benzeneacetamide,4-(2-oxiranylmethoxy)- Specification

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