5-Phenyl-3,4-dihydro-2H-pyrrole - CAS 700-91-4

Catalog:	BB034071
Product Name:	5-Phenyl-3,4-dihydro-2H-pyrrole
CAS:	700-91-4
Synonyms:	5-phenyl-3,4-dihydro-2H-pyrrole; 5-phenyl-3,4-dihydro-2H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-3,4-dihydro-2H-pyrrole
Description:	5-Phenyl-3,4-dihydro-2H-pyrrole (CAS# 700-91-4) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C10H11N
Canonical SMILES:	C1CC(=NC1)C2=CC=CC=C2
InChI:	InChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6H,4,7-8H2
InChI Key:	PQZAWZGYOZRUFT-UHFFFAOYSA-N
Boiling Point:	244.7 °C at 760 mmHg
Density:	1.12 g/cm³
MDL:	MFCD06661359
LogP:	1.70510

Publication Number	Title	Priority Date
CN-109988091-A	A kind of preparation method of group with imine moiety	20190419
WO-2020064002-A1	Isoindoline compound, preparation method, pharmaceutical composition and use thereof	20180930
WO-2019210828-A1	Bcl-2 INHIBITORS	20180429
AU-2019264475-A1	Bcl-2 inhibitors	20180429
BR-112020022092-A2	compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition	20180429

PMID	Publication Date	Title	Journal
22968920	20121107	Tethered ansa-bridged titanium complexes immobilized on 3-mercaptopropyl-functionalized silica gel and their application for the hydrosilylation of imines	Dalton transactions (Cambridge, England : 2003)
18535334	20080601	5-phenyl-3,4-dihydro-2H-pyrrole: the first example of a planar monosubstituted 1-pyrroline	Acta crystallographica. Section C, Crystal structure communications

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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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.089149355
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.089149355
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7