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| CAS No.: | 7250-19-3 |
|---|---|
| Name: | 1H-Indol-3-amine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H8N2 |
| Molecular Weight: | 132.165 |
| Synonyms: | Indole,3-amino- (8CI);3-Aminoindole;NSC 24933; |
| Density: | 1.269 g/cm3 |
| Melting Point: | 117℃ |
| Boiling Point: | 353.954 °C at 760 mmHg |
| Flash Point: | 195.023 °C |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 41.81000 |
| LogP: | 2.33130 |
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Specification
The 1H-Indol-3-amine, with the CAS registry number 7250-19-3, is also known as 1H-Indol-3-ylamine. This chemical's molecular formula is C8H8N2 and molecular weight is 132.07. What's more, its IUPAC name is the same with its product name.
Physical properties about 1H-Indol-3-amine are: (1)ACD/LogP: 1.548; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 4.10; (6)ACD/BCF (pH 7.4): 8.71; (7)ACD/KOC (pH 5.5): 76.78; (8)ACD/KOC (pH 7.4): 163.19; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 42.765 cm3; (15)Molar Volume: 104.152 cm3; (16)Polarizability: 16.953×10-24 cm3; (17)Surface Tension: 65.72 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 195.023 °C; (20)Enthalpy of Vaporization: 59.894 kJ/mol; (21)Boiling Point: 353.954 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc2c1c(cn2)N
(2) InChI: InChI=1S/C8H8N2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,9H2
(3) InChIKey: TXQAZWIBPGKHOX-UHFFFAOYSA-N