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| CAS No.: | 1594-57-6 |
|---|---|
| Name: | N'-HYDROXYPYRIDINE-4-CARBOXIMIDAMIDE |
| Article Data: | 52 |
| Molecular Structure: | |
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| Formula: | C6H7N3O |
| Molecular Weight: | 137.141 |
| Synonyms: | NSC 43969;N'-Hydroxyisonicotinimidamide;N'-Hydroxypyridine-4-carboximidamide;Pyridine-4-amidoxime;Isonicotinamide oxime;N-Hydroxy-4-pyridinecarboximidamide;N-Hydroxyisonicotinamidine;Isonicotinamidoxime(6CI,7CI,8CI);4-Pyridinecarboxamidoxime;4-Pyridinecarboxamide oxime; |
| EINECS: | 218-290-4 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 128-133 °C(lit.) |
| Boiling Point: | 350.038 °C at 760 mmHg |
| Flash Point: | 165.497 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 71.50000 |
| LogP: | 0.87640 |
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Specification
The N-Hydroxy-isonicotinamidine is an organic compound with the formula C6H7N3O. The IUPAC name of this chemical is Nitroso(1H-pyridin-4-ylidene)methanamine. With the CAS registry number 1594-57-6, it is also named as N'-Hydroxypyridine-4-carboximidamide. The product's categories are Heterocycles; Pharmacetical. Besides, its molecular weight is 137.14.
Physical properties about N-Hydroxy-isonicotinamidine are: (1)ACD/LogP: -0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5; (5)ACD/KOC (pH 7.4): 20; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 71.5 Å2; (10)Index of Refraction: 1.62; (11)Molar Refractivity: 36.519 cm3; (12)Molar Volume: 103.923 cm3; (13)Polarizability: 14.477×10-24 cm3; (14)Surface Tension: 55.424 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 165.497 °C; (17)Enthalpy of Vaporization: 62.747 kJ/mol; (18)Boiling Point: 350.038 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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)InChI: InChI=1/C6H7N3O/c7-6(9-10)5-1-3-8-4-2-5/h1-4,10H,(H2,7,9)
(2)InChIKey: ZUUATXHRJFHSGO-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C6H7N3O/c7-6(9-10)5-1-3-8-4-2-5/h1-4,10H,(H2,7,9)
(4)Std. InChIKey: ZUUATXHRJFHSGO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 321mg/kg (321mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Archivum Immunologiae et Therapiae Experimentalis. Vol. 25, Pg. 839, 1977. Link to PubMed |