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1-(1-methyl-1H-imidazol-2-yl)piperazine dihydrochloride

1-(1-methyl-1H-imidazol-2-yl)piperazine dihydrochloride - CAS 1394041-47-4

Catalog:	BB060328
Product Name:	1-(1-methyl-1H-imidazol-2-yl)piperazine dihydrochloride
CAS:	1394041-47-4
Synonyms:	1-(1-methyl-1H-imidazol-2-yl)piperazine dihydrochloride; 1-(1-methylimidazol-2-yl)piperazine; dihydrochloride; 1-(1-methyl-1H-imidazol-2-yl)piperazinedihydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(1-methylimidazol-2-yl)piperazinedihydrochloride
Description:	1-(1-methyl-1H-imidazol-2-yl)piperazine dihydrochloride (cas# 1394041-47-4) is a useful research chemical.
Molecular Weight:	239.14
Molecular Formula:	C8H14N4·2[HCl]
Canonical SMILES:	CN1C=CN=C1N2CCNCC2.Cl.Cl
InChI:	InChI=1S/C8H14N4.2ClH/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H32*1H
InChI Key:	YUMXKAPJZUQPQT-UHFFFAOYSA-N

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.0752019
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	238.0752019
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0