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| CAS No.: | 1670-87-7 |
|---|---|
| Name: | 1H-INDOLE-5-CARBOXAMIDE, 97% |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.175 |
| Synonyms: | 5-Carbamoylindole; |
| Density: | 1.328 g/cm3 |
| Melting Point: | 159-163 °C |
| Boiling Point: | 457.624 °C at 760 mmHg |
| Flash Point: | 230.563 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 58.88000 |
| LogP: | 1.96710 |
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Specification
The 1H-Indole-5-carboxamide, with the CAS registry number of 1670-87-7, is also known as 5-Carbamoylindole. It belongs to the product categories of AMIDE; Heterocyclic Compounds. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its systematic name is 1H-Indole-5-carboxamide.
Physical properties about the 1H-Indole-5-carboxamide are: (1)ACD/LogP: 0.87; (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): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 71; (8)ACD/KOC (pH 7.4): 71; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.88 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 47.459 cm3; (15)Molar Volume: 120.573 cm3; (16)Surface Tension: 67.143 dyne/cm; (17)Density: 1.328 g/cm3; (18)Flash Point: 230.563 °C; (19)Enthalpy of Vaporization: 71.778 kJ/mol; (20)Boiling Point: 457.624 °C at 760 mmHg; (21)Vapour Pressure: 0 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. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, this chemical is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES:NC(=O)c1cc2ccnc2cc1
(2) InChI:InChI=1/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
(3) InChIKey:GQMYQEAXTITUAE-UHFFFAOYAO