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6265-74-3

Basic Information
CAS No.: 6265-74-3
Name: N-(2-HYDROXYETHYL)ISONICOTINAMIDE, 99
Article Data: 8
Molecular Structure:
Molecular Structure of 6265-74-3 (N-(2-HYDROXYETHYL)ISONICOTINAMIDE, 99)
Formula: C8H10N2O2
Molecular Weight: 166.18
Synonyms: 4-Pyridinecarboxamide, N-(2-hydroxyethyl)-;
EINECS: 228-432-7
Density: 1.212 g/cm3
Melting Point: 136-138 °C (lit.)
Boiling Point: 442.8 °C at 760 mmHg
Flash Point: 221.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 62.22000
LogP: 0.19460
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  • N-(2-Hydroxyethyl)isonicotinamide  CAS NO.6265-74-3

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Specification

The N-(2-Hydroxyethyl)isonicotinamide, with the CAS registry number 6265-74-3, is also known as 4-Pyridinecarboxamide, N-(2-hydroxyethyl)-. Its EINECS registry number is 228-432-7. This chemical's molecular formula is C8H10N2O2 and molecular weight is 166.1772. What's more, its IUPAC name is N-(2-Hydroxyethyl)pyridine-4-carboxamide. 

Physical properties about N-(2-Hydroxyethyl)isonicotinamide are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.79; (8)ACD/KOC (pH 7.4): 5.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 44.13 cm3; (15)Molar Volume: 137 cm3; (16)Polarizability: 17.49×10-24 cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 221.6 °C; (20)Enthalpy of Vaporization: 73.81 kJ/mol; (21)Boiling Point: 442.8 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-08 mmHg at 25 °C.

Uses of N-(2-Hydroxyethyl)isonicotinamide: it is used to produce other chemicals. For example, it is used to produce 4-Methyl-5-oxy-furazan-3-carboxylic acid 2-[(pyridine-4-carbonyl)-amino]-ethyl ester. This reaction needs reagents 4-Methyl-5-oxy-furazan-3-carbonyl chloride and Et3N. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 6 hours with reaction temperature of 20 °C. The yield is about 50.5 %.

N-(2-Hydroxyethyl)isonicotinamide can be used to produce 4-Methyl-5-oxy-furazan-3-carboxylic acid 2-[(pyridine-4-carbonyl)-amino]-ethyl ester.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCO)c1ccncc1
(2) InChI: InChI=1/C8H10N2O2/c11-6-5-10-8(12)7-1-3-9-4-2-7/h1-4,11H,5-6H2,(H,10,12)
(3) InChIKey: QVPWDPDVDVVXIB-UHFFFAOYAO