Indole-2-carbohydrazide - CAS 5055-39-0

Catalog:	BB027112
Product Name:	Indole-2-carbohydrazide
CAS:	5055-39-0
Synonyms:	1H-indole-2-carbohydrazide; 1H-indole-2-carbohydrazide

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Computed Properties

IUPAC Name:	1H-indole-2-carbohydrazide
Description:	Indole-2-carbohydrazide (CAS# 5055-39-0 ) is a useful research chemical.
Molecular Weight:	175.19
Molecular Formula:	C9H9N3O
Canonical SMILES:	C1=CC=C2C(=C1)C=C(N2)C(=O)NN
InChI:	InChI=1S/C9H9N3O/c10-12-9(13)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,10H2,(H,12,13)
InChI Key:	DZLFRQHFFVRYEE-UHFFFAOYSA-N
Density:	1.353 g/cm³
MDL:	MFCD02293210
LogP:	1.86260

Publication Number	Title	Priority Date
WO-2021119606-A1	Flow chemistry synthesis of isocyanates	20191212
CN-110896956-A	Indole hydrazide-containing bactericidal composition	20191211
CN-110973144-A	Indole hydrazide-containing bactericidal composition	20191211
KR-102241064-B1	Novel indole derivatives and composition for preventing or treating inflammatory diseases comprising the same	20190730
KR-20210014374-A	Novel indole derivatives and composition for preventing or treating inflammatory diseases comprising the same	20190730

PMID	Publication Date	Title	Journal
21740102	20120601	Synthesis and antioxidant activity evaluations of melatonin-based analogue indole-hydrazide/hydrazone derivatives	Journal of enzyme inhibition and medicinal chemistry
20428037	20100329	Novel indole-based analogs of melatonin: synthesis and in vitro antioxidant activity studies	Molecules (Basel, Switzerland)
18972245	20090401	Melatonin analogue new indole hydrazide/hydrazone derivatives with antioxidant behavior: synthesis and structure-activity relationships	Journal of enzyme inhibition and medicinal chemistry
18974644	20090101	Investigation of antimicrobial activities of indole-3-aldehyde hydrazide/hydrazone derivatives	Chemotherapy
16722636	20060601	Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.074561919
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	175.074561919
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3