Cyclobutanecarboxamide - CAS 1503-98-6

Catalog:	BB010532
Product Name:	Cyclobutanecarboxamide
CAS:	1503-98-6
Synonyms:	cyclobutanecarboxamide; cyclobutanecarboxamide

Technical Data

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Computed Properties

IUPAC Name:	cyclobutanecarboxamide
Description:	Cyclobutanecarboxamide (CAS# 1503-98-6) is a useful research chemical.
Molecular Weight:	99.13
Molecular Formula:	C5H9NO
Canonical SMILES:	C1CC(C1)C(=O)N
InChI:	InChI=1S/C5H9NO/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H2,6,7)
InChI Key:	MFNYBOWJWGPXFM-UHFFFAOYSA-N
Boiling Point:	254.7 °C at 760 mmHg
Density:	1.108 g/cm³
Appearance:	Off white flakes
MDL:	MFCD00029076
LogP:	0.97210

Publication Number	Title	Priority Date
WO-2021211922-A1	Spiro-sulfonimidamide derivatives as inhibitors of myeloid cell leukemia-1 (mcl-1) protein	20200416
WO-2021173930-A1	Kcnt1 inhibitors and methods of use	20200228
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
US-2021128556-A1	Aminopyrimidine amide autophagy inhibitors and methods of use thereof	20190617

PMID	Publication Date	Title	Journal
19193160	20090212	2-[(2,3-dihydro-1H-indol-1-yl)methyl]melatonin analogues: a novel class of MT2-selective melatonin receptor antagonists	Journal of medicinal chemistry
17223160	20070401	Design, synthesis and melatoninergic potency of new N-acyl 8,9-dihydro-4-methoxy-7H-2-benzo[de]quinolinalkanamines	Bioorganic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	86.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.068413911
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	99.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1