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1-(2-Aminoethyl)-1,2,4-triazole Dihydrochloride

1-(2-Aminoethyl)-1,2,4-triazole Dihydrochloride - CAS 51444-26-9

Catalog:	BB027440
Product Name:	1-(2-Aminoethyl)-1,2,4-triazole Dihydrochloride
CAS:	51444-26-9
Synonyms:	2-(1,2,4-triazol-1-yl)ethanamine;dihydrochloride; 2-(1,2,4-triazol-1-yl)ethanamine;dihydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(1,2,4-triazol-1-yl)ethanamine;dihydrochloride
Description:	1-(2-Aminoethyl)-1,2,4-triazole Dihydrochloride (CAS# 51444-26-9) is a useful research chemical.
Molecular Weight:	185.06
Molecular Formula:	C4H10Cl2N4
Canonical SMILES:	C1=NN(C=N1)CCN.Cl.Cl
InChI:	InChI=1S/C4H8N4.2ClH/c5-1-2-8-4-6-3-7-8;;/h3-4H,1-2,5H2;2*1H
InChI Key:	DTPGFYKFVNFLLK-UHFFFAOYSA-N
MDL:	MFCD06656249
LogP:	0.73910

Publication Number	Title	Priority Date
WO-2021133689-A2	Lipoxygenase inhibitors	20191223
EP-3325462-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723
JP-2018521044-A	Lysyl oxidase like 2 inhibitor and its use	20150723
US-2018215727-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723
WO-2017015221-A1	Lysyl oxidase-like 2 inhibitors and uses thereof	20150723

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0282517
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	184.0282517
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0