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Benzamide,2,3-dihydroxy-N-(2-hydroxyethyl)-

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Name

Benzamide,2,3-dihydroxy-N-(2-hydroxyethyl)-

EINECS 249-718-8
CAS No. 29597-83-9 Density 1.401 g/cm3
PSA 89.79000 LogP 0.21080
Solubility N/A Melting Point N/A
Formula C9H11NO4 Boiling Point 431.4 °C at 760 mmHg
Molecular Weight 197.18794 Flash Point 214.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29597-83-9 (2,3-dihydroxy-N-(2-hydroxyethyl)benzamide) Hazard Symbols N/A
Synonyms

o-Pyrocatechuamide,N-(2-hydroxyethyl)- (8CI);2,3-Dihydroxybenzoic acid b-hydroxyethylamide;

 

Benzamide,2,3-dihydroxy-N-(2-hydroxyethyl)- Specification

The CAS registry number of Benzamide,2,3-dihydroxy-N-(2-hydroxyethyl)- is 29597-83-9. Its EINECS registry number is 249-718-8. This chemical's molecular formula is C9H11NO4 and molecular weight is 197.18794. What's more, its systematic name is 2,3-Dihydroxy-N-(2-hydroxyethyl)benzamide.

Physical properties about Benzamide,2,3-dihydroxy-N-(2-hydroxyethyl)- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.4; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 44.16; (8)ACD/KOC (pH 7.4): 34.48; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 49.8 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 19.74×10-24 cm3; (17)Surface Tension: 70 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 214.7 °C; (20)Enthalpy of Vaporization: 72.41 kJ/mol; (21)Boiling Point: 431.4 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc(O)c1O)NCCO
(2)InChI: InChI=1/C9H11NO4/c11-5-4-10-9(14)6-2-1-3-7(12)8(6)13/h1-3,11-13H,4-5H2,(H,10,14)
(3)InChIKey: NPGHQBAAQRJMAI-UHFFFAOYAR

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