N-(3-Buten-1-yl)phthalimide - CAS 52898-32-5

Catalog:	BB027977
Product Name:	N-(3-Buten-1-yl)phthalimide
CAS:	52898-32-5
Synonyms:	2-but-3-enylisoindole-1,3-dione; 2-but-3-enylisoindole-1,3-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	2-but-3-enylisoindole-1,3-dione
Description:	N-(3-Buten-1-yl)phthalimide (CAS# 52898-32-5) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	C=CCCN1C(=O)C2=CC=CC=C2C1=O
InChI:	InChI=1S/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2,4-7H,1,3,8H2
InChI Key:	ZDOLXCKKXHSEJG-UHFFFAOYSA-N
Boiling Point:	311 °C at 760 mmHg
Density:	1.195 g/cm³
LogP:	1.79660

Publication Number	Title	Priority Date
JP-2021113174-A	A metal complex, a catalyst component for olefin polymerization containing the metal complex, a catalyst for olefin polymerization, and a method for producing an olefin polymer and a copolymer using the metal complex.	20200120
CN-109180586-A	Hexahydro azatropylidene -4- base oxybenzamide class compound as Rho kinase inhibitor	20181010
WO-2020055976-A1	Tert-butyl (s)-2-(4-(phenyl)-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a] [1,4]diazepin-6-yl) acetate derivatives and related compounds as bromodomain brd4 inhibitors for treating cancer	20180911
EP-3784660-A1	Environmentally-friendly hydroazidation of olefins	20180629
US-2021284601-A1	Environmentally-friendly hydroazidation of olefins	20180629

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Complexity:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.078978594
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6