1-(3-Aminopropyl)imidazole - CAS 5036-48-6

Name: 1-(3-Aminopropyl)imidazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027031
Product Name:	1-(3-Aminopropyl)imidazole
CAS:	5036-48-6
Synonyms:	3-(1-imidazolyl)-1-propanamine; 3-imidazol-1-ylpropan-1-amine

Technical Data

IUPAC Name:	3-imidazol-1-ylpropan-1-amine
Description:	1-(3-Aminopropyl)imidazole (CAS# 5036-48-6) is a reagent used in drug designs and also in the synthesis of novel protein kinase R inhibitors compound and it's anti-apoptotic effect on human MCF-7 breast cancer cells by molecular modeling method.
Molecular Weight:	125.17
Molecular Formula:	C6H11N3
Canonical SMILES:	C1=CN(C=N1)CCCN
InChI:	InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChI Key:	KDHWOCLBMVSZPG-UHFFFAOYSA-N
Boiling Point:	296 °C
Density:	1.062 g/cm³
Appearance:	Liquid
MDL:	MFCD00009819
LogP:	0.93220

GHS Hazard Statement:	H302 (83.05%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P264, P270, P273, P280, P281, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22892118	20120915	Synthesis and DNA binding properties of 1-(3-aminopropyl)-imidazole-containing triamide f-Im*PyIm: a novel diamino polyamide designed to target 5'-ACGCGT-3'	Bioorganic & medicinal chemistry letters
22476383	20120607	Silver(I) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity	Dalton transactions (Cambridge, England : 2003)
22226879	20120315	Paclitaxel loaded nano-aggregates based on pH sensitive polyaspartamide amphiphilic graft copolymers	International journal of pharmaceutics
22169028	20120215	Spectral, biological screening of metal chelates of chalcone based Schiff bases of N-(3-aminopropyl) imidazole	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22259344	20120101	{N-[1-(1H-Benzimidazol-2-yl)ethyl-idene-κN]-3-(1H-imidazol-1-yl)propan-1-amine-κN}dibromidomercury(II)	Acta crystallographica. Section E, Structure reports online

Complexity:	74.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.095297364
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.095297364
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6