Cyclopentanecarboxamide - CAS 3217-94-5

Catalog:	BB021213
Product Name:	Cyclopentanecarboxamide
CAS:	3217-94-5
Synonyms:	cyclopentanecarboxamide; cyclopentanecarboxamide

Technical Data

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Computed Properties

IUPAC Name:	cyclopentanecarboxamide
Description:	Cyclopentanecarboxamide (CAS# 3217-94-5) is a useful research chemical.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	C1CCC(C1)C(=O)N
InChI:	InChI=1S/C6H11NO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)
InChI Key:	XRLDSWLMHUQECH-UHFFFAOYSA-N
Boiling Point:	266.2 °C at 760 mmHg
Density:	1.056 g/cm³
LogP:	1.36220

Publication Number	Title	Priority Date
CN-112299938-A	Method for preparing amine compound by reducing amide compound	20201112
CN-113462278-A	Varnish composition, method for producing polyimide resin, and additive	20200331
WO-2021175234-A1	Benzothiazole compound and medical use	20200303
WO-2021173930-A1	Kcnt1 inhibitors and methods of use	20200228
WO-2021154997-A1	Inhibitors of apol1 and methods of using same	20200129

PMID	Publication Date	Title	Journal
22512552	20120601	Melatonin synthetic analogs as nitric oxide synthase inhibitors	Mini reviews in medicinal chemistry
22199888	20111201	N,N'-Dicyclo-pentyl-N'',N''-dimethyl-phospho-ric triamide	Acta crystallographica. Section E, Structure reports online
21940073	20111101	Synthesis and characterization of novel bis(carboxylato)dichloridobis(ethylamine)platinum(IV) complexes with higher cytotoxicity than cisplatin	European journal of medicinal chemistry
19893233	20091101	Cyclohexanecarboxamide	Acta crystallographica. Section C, Crystal structure communications
19117642	20090601	Phenylpyrrole derivatives as neural and inducible nitric oxide synthase (nNOS and iNOS) inhibitors	European journal of medicinal 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:	94.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7