4-Ethylpiperidine - CAS 3230-23-7

Catalog:	BB021249
Product Name:	4-Ethylpiperidine
CAS:	3230-23-7
Synonyms:	4-ethylpiperidine

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Computed Properties

IUPAC Name:	4-ethylpiperidine
Description:	4-Ethylpiperidine (CAS# 3230-23-7) is a useful research chemical.
Molecular Weight:	113.20
Molecular Formula:	C7H15N
Canonical SMILES:	CCC1CCNCC1
InChI:	InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
InChI Key:	KWHPWBXOLZTZMJ-UHFFFAOYSA-N
Boiling Point:	157 °C at 760 mmHg
Purity:	95 %
Density:	0.808 g/cm³
MDL:	MFCD01872520
LogP:	1.72480

Publication Number	Title	Priority Date
CN-112898170-A	Preparation method of acid diffusion inhibitor and photoresist composition	20210122
JP-2021011500-A	Treprostinil derivative compound and its usage	20201026
WO-2021121613-A1	Chemo sensor with sulphur-containing ionophores	20191220
WO-2021104461-A1	Diazaindole derivative and use thereof as chk1 inhibitor	20191129
WO-2021108691-A1	Methods of treatment	20191127

PMID	Publication Date	Title	Journal
12757722	20030612	1H-Imidazo[4,5-c]quinoline derivatives as novel potent TNF-alpha suppressors: synthesis and structure-activity relationship of 1-, 2-and 4-substituted 1H-imidazo[4,5-c]quinolines or 1H-imidazo[4,5-c]pyridines	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	55.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.120449483
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6