Cyclobutylamine - CAS 2516-34-9

Catalog:	BB018766
Product Name:	Cyclobutylamine
CAS:	2516-34-9
Synonyms:	cyclobutanamine

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	cyclobutanamine
Description:	Cyclobutylamine (CAS# 2516-34-9) is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.
Molecular Weight:	71.12
Molecular Formula:	C4H9N
Canonical SMILES:	C1CC(C1)N
InChI:	InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
InChI Key:	KZZKOVLJUKWSKX-UHFFFAOYSA-N
Boiling Point:	81.4 °C (752 mmHg)
Density:	0.833 g/cm³
Appearance:	Clear colorless to light yellow clear liquid
MDL:	MFCD00001328
LogP:	1.19790

Publication Number	Title	Priority Date
WO-2021204175-A1	Lipid nanoparticle composition	20200409
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
WO-2021170658-A1	Heterocyclic compounds for modulating nr2f6	20200225
WO-2021154997-A1	Inhibitors of apol1 and methods of using same	20200129
WO-2021154667-A1	C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127

PMID	Publication Date	Title	Journal
27305487	20160714	Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor	Journal of medicinal chemistry
22514076	20120528	Searching for new cell-penetrating agents: hybrid cyclobutane-proline γ,γ-peptides	Organic & biomolecular chemistry
21162138	20110101	A 1H NMR and theoretical investigation of the conformations of some monosubstituted cyclobutanes	Magnetic resonance in chemistry : MRC
20186912	20100406	Synthesis of highly substituted cyclobutane fused-ring systems from N-vinyl beta-lactams through a one-pot domino process	Chemistry (Weinheim an der Bergstrasse, Germany)
21577430	20090815	Bis(2-cyclo-butyl-imino-methyl-4,6-dihydro-seleno-phenolato)zinc(II)	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H225 (97.87%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	30.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	71.073499291
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	71.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2