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1H-Indole-3-carboxylicacid, hydrazide

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Name

1H-Indole-3-carboxylicacid, hydrazide

EINECS
CAS No. 15317-58-5 Density 1.353 g/cm3
Solubility Melting Point
Formula C9H9N3O Boiling Point
Molecular Weight 175.19 Flash Point
Transport Information Appearance
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 15317-58-5 (1H-Indole-3-carboxylicacid, hydrazide) Hazard Symbols IrritantXi
Synonyms

Indole-3-carbohydrazide;Indole-3-carboxylic acid, hydrazide;1H-indole-3-carbohydrazide;

 

1H-Indole-3-carboxylicacid, hydrazide Specification

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.

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