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| CAS No.: | 78790-79-1 |
|---|---|
| Name: | 3-AMINO-4-CYANOPYRIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H5N3 |
| Molecular Weight: | 119.126 |
| Synonyms: | 3-Aminopyridine-4-carbonitrile;3-Amino-4-cyanopyridine; |
| Density: | 1.236 g/cm3 |
| Melting Point: | 135-138℃ |
| Boiling Point: | 332.891 °C at 760 mmHg |
| Flash Point: | 155.127 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 62.70000 |
| LogP: | 1.11668 |
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Specification
The IUPAC name of 3-Amino-4-cyanopyridine is 3-aminopyridine-4-carbonitrile. With the CAS registry number 78790-79-1, it is also named as 4-Pyridinecarbonitrile,3-amino-. The product's categories are Nitrile; Pyridine Series; Amines; Pyridines. In addition, its molecular formula is C6H5N3 and molecular weight is 119.12.
The other characteristics of 3-Amino-4-cyanopyridine can be summarized as: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.7 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 32.736 cm3; (15)Molar Volume: 96.359 cm3; (16)Polarizability: 12.978×10-24cm3; (17)Surface Tension: 67.821 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 155.127 °C; (20)Enthalpy of Vaporization: 57.57 kJ/mol; (21)Boiling Point: 332.891 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cncc(c1C#N)N
(2)InChI: InChI=1/C6H5N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,8H2
(3)InChIKey: PEZNQSQPDQLHPN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H5N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,8H2
(5)Std. InChIKey: PEZNQSQPDQLHPN-UHFFFAOYSA-N