2-Ethylpyrrole - CAS 1551-06-0

Catalog:	BB011086
Product Name:	2-Ethylpyrrole
CAS:	1551-06-0
Synonyms:	2-ethyl-1H-pyrrole

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Computed Properties

IUPAC Name:	2-ethyl-1H-pyrrole
Description:	2-Ethylpyrrole (CAS# 1551-06-0) is a useful research chemical.
Molecular Weight:	95.14
Molecular Formula:	C6H9N
Canonical SMILES:	CCC1=CC=CN1
InChI:	InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3
InChI Key:	XRPDDDRNQJNHLQ-UHFFFAOYSA-N
Boiling Point:	164-165 °C754 mmHg (lit.)
Density:	0.929 g/mLat25°C(lit.)
MDL:	MFCD00060477
LogP:	1.57710

Publication Number	Title	Priority Date
CN-110498798-B	Microreactor series connection synthesis method of indole anticancer drug molecules	20190828
WO-2015175636-A1	Synthesis of aryl coupled bis phenoxides and their use in olefin polymerization catalyst systems with activator-supports	20140515
WO-2015102682-A1	Pyridone-sulfone morphinan analogs as opioid receptor ligands	20131230
WO-2015011132-A2	Phosphoramidite derivatives in the hydroformylation of unsaturated compounds	20130723
WO-2015011139-A2	Phosphoramidite derivatives in the hydroformylation of olefin-containing mixtures	20130723

PMID	Publication Date	Title	Journal
17943704	20080101	Modeling the photochemistry of the reference phototoxic drug lomefloxacin by steady-state and time-resolved experiments, and DFT and post-HF calculations	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	52.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.073499291
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	95.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6