AG00CIUI

3598-60-5 | 4-(Phthalimidyl)butanal

AG00CIUI

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CAS Number	3598-60-5
Catalog Number	AG00CIUI(AGN-PC-08XVCJ)
Chemical Name	4-(Phthalimidyl)butanal
IUPAC Name	4-(1,3-dioxoisoindol-2-yl)butanal
InChI	InChI=1S/C12H11NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,8H,3-4,7H2
InChI Key	WMXADABRNBNSJC-UHFFFAOYSA-N
MDL Number	MFCD00454178
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	O=CCCCN1C(=O)C2=C(C=CC=C2)C1=O
Synonyms	3598-60-5, 4-(1,3-DIOXOISOINDOLIN-2-YL)BUTANAL, 4-Phthalimidobutanal, 4-Phthalimidobutyraldehyde, Phthalimide, N-(3-formylpropyl)-, gamma-Phthalimidobutyraldehyde, BRN 0011926, 4-(1,3-dioxoisoindol-2-yl)butanal, 2H-Isoindole-2-butanal, 1,3-dihydro-1,3-dioxo-, WMXADABRNBNSJC-UHFFFAOYSA-N, MFCD00454178, 2H-Isoindole-2-butanol, 1,3-dihydro-1,3-dioxo- (9CI), 4-Phthalimidylbutanal, 4-(Phthalimidyl)butanal, AC1L2SGI, N-(4-oxobutyl)phthalimide, 5-21-10-00398 (Beilstein Handbook Reference), SCHEMBL559750, .gamma.-Phthalimidobutyraldehyde, CTK4H5708, KS-00001BEO, DTXSID10189537, ZINC5934692, 4521AB, FCH2721972, N-(3-FORMYLPROPYL)-PHTHALIMIDE, AJ-55257, AK109760, AS-42577, SC-31975, AX8228096, DB-032134, LS-109481, CS-0038053, ST24042781, 2H-Isoindole-2-butanol, 1,3-dihydro-1,3-dioxo-, A1-08063, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)butanal, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanal, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanal, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanal #, 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyraldehyde, 4-(1,3-Dioxo-1,3-dihydroisoindole-2-yl)-butyraldehyde, 4-(1,3,-dioxo-1,3-dihydro-isoindol-2-yl)-butyraldehyde, 4- butanal, C12H11NO3, CID77150, C12-H11-N-O3, ACN-052744, 4-(1,3-dioxoisoindolin-2-yl)butanal;4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanal,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number