Ethyl 3-hydrazinobenzoate hydrochloride - CAS 940875-99-0

Catalog:	BB041186
Product Name:	Ethyl 3-hydrazinobenzoate hydrochloride
CAS:	940875-99-0
Synonyms:	ethyl 3-hydrazinylbenzoate;hydrochloride

Technical Data

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Patents

Computed Properties

IUPAC Name:	ethyl 3-hydrazinylbenzoate;hydrochloride
Description:	Ethyl 3-hydrazinobenzoate hydrochloride (CAS# 940875-99-0) is a useful research chemical.
Molecular Weight:	216.66
Molecular Formula:	C9H13ClN2O2
Canonical SMILES:	CCOC(=O)C1=CC(=CC=C1)NN.Cl
InChI:	InChI=1S/C9H12N2O2.ClH/c1-2-13-9(12)7-4-3-5-8(6-7)11-10;/h3-6,11H,2,10H2,1H3;1H
InChI Key:	YMKGDNLSBACMSE-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.72420

Publication Number	Title	Priority Date
EP-3800188-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
WO-2021064077-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
AU-2013344886-A1	Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain	20121113
AU-2013344886-B2	Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain	20121113
AU-2017221802-A1	Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain	20121113

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0665554
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	216.0665554
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0