1H-Indole-5-carboxamide supplier

Name
1H-INDOLE-5-CARBOXAMIDE, 97%
EINECS
CAS No. 1670-87-7
Article Data8
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point 159-163 °C
Formula C₉H₈N₂O
Boiling Point 457.624 °C at 760 mmHg
Molecular Weight 160.175
Flash Point 230.563 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Carbamoylindole;
PSA 58.88000
LogP 1.96710

1H-Indole-5-carboxamide 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

Product Name

1H-INDOLE-5-CARBOXAMIDE, 97%

1H-Indole-5-carboxamide Specification

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