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| CAS No.: | 70892-82-9 |
|---|---|
| Name: | N,N-BIS(2-HYDROXYETHYL)ISONICOTINAMIDE |
| Molecular Structure: | |
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| Formula: | C10H14N2O3 |
| Molecular Weight: | 210.233 |
| Synonyms: | 4-Pyridinecarboxamide, N, N-bis(2-hydroxyethyl)-; |
| EINECS: | 274-993-6 |
| Density: | 1.266 g/cm3 |
| Melting Point: | 132-134 °C(lit.) |
| Boiling Point: | 456.6 °C at 760 mmHg |
| Flash Point: | 230 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 73.66000 |
| LogP: | -0.49160 |
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Specification
The N, N-Bis(2-hydroxyethyl)isonicotinamide, with the CAS registry number 70892-82-9, is also known as 4-Pyridinecarboxamide, N, N-bis(2-hydroxyethyl)-. Its EINECS registry number is 274-993-6. This chemical's molecular formula is C10H14N2O3 and molecular weight is 210.23. What's more, its IUPAC name is N, N-Bis(2-hydroxyethyl)pyridine-4-carboxamide.
Physical properties about N, N-Bis(2-hydroxyethyl)isonicotinamide are: (1)ACD/LogP: -2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.35; (4)ACD/LogD (pH 7.4): -2.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.21; (8)ACD/KOC (pH 7.4): 1.31; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 51.66 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 55.06 cm3; (15)Molar Volume: 165.9 cm3; (16)Polarizability: 21.82×10-24 cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 230 °C; (20)Enthalpy of Vaporization: 75.51 kJ/mol; (21)Boiling Point: 456.6 °C at 760 mmHg; (22)Vapour Pressure: 3.94E-09 mmHg at 25 °C.
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(N(CCO)CCO)c1ccncc1
(2) InChI: InChI=1/C10H14N2O3/c13-7-5-12(6-8-14)10(15)9-1-3-11-4-2-9/h1-4,13-14H,5-8H2
(3) InChIKey: MTPZSDPCKPPQCT-UHFFFAOYAR