2-(2-Imidazolyl)benzylamine Dihydrochloride - CAS 1909336-71-5

Catalog:	BB014772
Product Name:	2-(2-Imidazolyl)benzylamine Dihydrochloride
CAS:	1909336-71-5
Synonyms:	[2-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride; [2-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	[2-(1H-imidazol-2-yl)phenyl]methanamine;dihydrochloride
Description:	2-(2-Imidazolyl)benzylamine Dihydrochloride (CAS# 1909336-71-5 ) is a useful research chemical.
Molecular Weight:	246.14
Molecular Formula:	C10H13Cl2N3
Canonical SMILES:	C1=CC=C(C(=C1)CN)C2=NC=CN2.Cl.Cl
InChI:	InChI=1S/C10H11N3.2ClH/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10;;/h1-6H,7,11H2,(H,12,13);2*1H
InChI Key:	BSECGLXIKCENPG-UHFFFAOYSA-N
LogP:	3.83970

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Related Functional Groups

Imidazoles

[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
[1692391-54-0]
Ethyl 1-propyl-1H-imidazole-2-carboxylate
[53525-60-3]
Ethyl 1-trityl-1H-imidazole-4-carboxylate
[76182-29-1]
ethyl 5-chloro-1H-imidazole-4-carboxylate
[287917-54-8]
3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one

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:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.0486528
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	245.0486528
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0