Basic information
- Name:
N-(2-Hydroxyethyl)isonicotinamide
- CAS No.:
6265-74-3
- Molecular Structure:
- Formula:
- C8H10N2O2
- Molecular Weight:
- 166.1772
- 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:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-37/39 Details
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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.](/UserFilesUpload/Uses of N-(2-Hydroxyethyl)isonicotinamide.jpg)
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