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CAS No.: | 15317-58-5 |
---|---|
Name: | 1H-INDOLE-3-CARBOXYLIC ACID HYDRAZIDE |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C9H9N3O |
Molecular Weight: | 175.19 |
Synonyms: | Indole-3-carbohydrazide;Indole-3-carboxylic acid, hydrazide;1H-indole-3-carbohydrazide; |
Density: | 1.353 g/cm3 |
Melting Point: | 224-226 °C (decomp) |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26 |
PSA: | 70.91000 |
LogP: | 1.86260 |
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The 1H-Indole-3-carboxylicacid, hydrazide, with the CAS registry number 15317-58-5, is also known as Indole-3-carbohydrazide. This chemical's molecular formula is C9H9N3O and molecular weight is 175.19. What's more, its IUPAC name is 1H-indole-3-carbohydrazide. Its classification code is Drug/Therapeutic Agent. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Indole-3-carboxylicacid, hydrazide are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.4; (8)ACD/KOC (pH 7.4): 29.5; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.48 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 51.05 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 20.23×10-24cm3; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.353 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c1ccccc1nc2)NN
(2)Std. InChI: InChI=1S/C9H9N3O/c10-12-9(13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,10H2,(H,12,13)
(3)Std. InChIKey: QHUYDKZSGDJDSC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 553mg/kg (553mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 259, 1961. |