1-Methylhistamine Dihydrochloride - CAS 6481-48-7

Catalog:	BB032556
Product Name:	1-Methylhistamine Dihydrochloride
CAS:	6481-48-7
Synonyms:	2-(1-methyl-4-imidazolyl)ethanamine;dihydrochloride; 2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
Description:	1-Methylhistamine Dihydrochloride (CAS# 6481-48-7) is a selective H1-receptor agonists. Also it has depressant effects.
Molecular Weight:	198.09
Molecular Formula:	C6H13Cl2N3
Canonical SMILES:	CN1C=C(N=C1)CCN.Cl.Cl
InChI:	InChI=1S/C6H11N3.2ClH/c1-9-4-6(2-3-7)8-5-9;;/h4-5H,2-3,7H2,1H3;2*1H
InChI Key:	AGXVEALMQHTMSW-UHFFFAOYSA-N
MDL:	MFCD00037000
LogP:	1.42360

Publication Number	Title	Priority Date
AU-2012271240-A1	Novel rodent control agents and uses thereof	20110616
CA-2838667-A1	Novel rodent control agents and uses thereof	20110616
EP-2720536-A1	Novel rodent control agents and uses thereof	20110616
US-2014221499-A1	Novel rodent control agents and uses thereof	20110616
WO-2012173701-A1	Novel rodent control agents and uses thereof	20110616

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.0486528
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	197.0486528
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0