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| CAS No.: | 6814-68-2 |
|---|---|
| Name: | 1H-Indazole-3-ethanamine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H11N3 |
| Molecular Weight: | 161.206 |
| Synonyms: | 1H-Indazole,3-(2-aminoethyl)- (6CI,7CI,8CI);2-(1H-Indazol-3-yl)ethanamine; |
| Density: | 1.225 g/cm3 |
| Boiling Point: | 356.139 °C at 760 mmHg |
| Flash Point: | 196.421 °C |
| PSA: | 54.70000 |
| LogP: | 1.76440 |
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- Total:23 Page 1 of 1 1
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Specification
The 1H-Indazole-3-ethanamine, with the CAS registry number 6814-68-2, is also known as 1H-Indazole,3-(2-aminoethyl)- (6CI,7CI,8CI). This chemical's molecular formula is C9H11N3 and formula weight is 161.20. What's more, its systematic name is 2-(1H-indazol-3-yl)ethanamine.
Physical properties of 1H-Indazole-3-ethanamine are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.7 Å2; (9)Index of Refraction: 1.68; (10)Molar Refractivity: 49.704 cm3; (11)Molar Volume: 131.59 cm3; (12)Surface Tension: 62.836 dyne/cm; (13)Density: 1.225 g/cm3; (14)Flash Point: 196.421 °C; (15)Enthalpy of Vaporization: 60.137 kJ/mol; (16)Boiling Point: 356.139 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: NCCc2nnc1ccccc12
(2)InChI: InChI=1S/C9H11N3/c10-6-5-9-7-3-1-2-4-8(7)11-12-9/h1-4H,5-6,10H2,(H,11,12)
(3)InChIKey: YTADWSDGULTVBB-UHFFFAOYSA-N