3,4-Diethylpyrrole - CAS 16200-52-5

Catalog:	BB011811
Product Name:	3,4-Diethylpyrrole
CAS:	16200-52-5
Synonyms:	3,4-diethyl-1H-pyrrole; 3,4-diethyl-1H-pyrrole

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Computed Properties

IUPAC Name:	3,4-diethyl-1H-pyrrole
Description:	3,4-Diethylpyrrole (CAS# 16200-52-5) is a useful research chemical.
Molecular Weight:	123.20
Molecular Formula:	C8H13N
Canonical SMILES:	CCC1=CNC=C1CC
InChI:	InChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
InChI Key:	XMYRJQYUMXCUNX-UHFFFAOYSA-N
Boiling Point:	183.7 °C at 760 mmHg
Density:	0.923 g/cm³
LogP:	2.13950

Publication Number	Title	Priority Date
CN-113336991-A	Water-resistant, wear-resistant and antistatic polyester film and preparation method thereof	20210604
CN-113292603-A	Metal complex, organic electroluminescent device and application thereof	20210520
WO-2021125182-A1	Hybrid electrolytic capacitor and method for manufacturing same	20191217
WO-2021125183-A1	Solid electrolytic capacitor and method for manufacturing same	20191217
TW-202102647-A	Boron-containing cyclic emissive compounds and color conversion film containing the same	20190412

PMID	Publication Date	Title	Journal
20440724	20100618	Electrochemical syntheses of cyclo[n]pyrrole	Chemistry (Weinheim an der Bergstrasse, Germany)
15565235	20041207	Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations	Organic & biomolecular chemistry
12558439	20030207	Contracted and expanded meso-alkynyl porphyrinoids: from triphyrin to hexaphyrin	The Journal of organic chemistry

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Related Functional Groups

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[473401-82-0]
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[54278-10-3]
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[30186-41-5]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	70.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.104799419
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3