Pentanimidamide - CAS 109-51-3

Catalog:	BB002505
Product Name:	Pentanimidamide
CAS:	109-51-3
Synonyms:	pentanimidamide; pentanimidamide

Technical Data

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Computed Properties

IUPAC Name:	pentanimidamide
Description:	Pentanimidamide (CAS# 109-51-3) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C5H12N2
Canonical SMILES:	CCCCC(=N)N
InChI:	InChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7)
InChI Key:	LPXCHPSTROLSJX-UHFFFAOYSA-N
Boiling Point:	141.9 °C at 760 mmHg
Density:	0.95 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.91260

Publication Number	Title	Priority Date
WO-2019183245-A1	Kinase inhibitor compounds and compositions and methods of use	20180320
AU-2019240065-A1	Kinase inhibitor compounds and compositions and methods of use	20180320
EP-3768267-A1	Kinase inhibitor compounds and compositions and methods of use	20180320
EP-3340981-A1	Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders	20150826
WO-2017035353-A1	Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders	20150826

PMID	Publication Date	Title	Journal
22496723	20120101	Late stage infection in sleeping sickness	PloS one
22545057	20120101	Towards Point-of-Care Diagnostic and Staging Tools for Human African Trypanosomiaisis	Journal of tropical medicine
20144237	20100209	Bisbenzamidine derivative, pentamidine represses DNA damage response through inhibition of histone H2A acetylation	Molecular cancer
19426443	20090326	Canine babesiosis: from molecular taxonomy to control	Parasites & vectors

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Related Functional Groups

Nitrogen Compounds

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Complexity:	59.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.100048391
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	100.100048391
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6