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2-[[Benzyl(methyl)amino]methyl]isoindole-1,3-dione

HCID 732239
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Basic information

CAS
57675-92-0
Standard SMILES
CN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIKey
QDTLCDRPBBCDMJ-UHFFFAOYSA-N
Molecular formula
C17H16N2O2
Average molar mass
280.32 g/mol
Monoisotopic mass
280.12117776

Names & identifiers

Preferred name
2-[[Benzyl(methyl)amino]methyl]isoindole-1,3-dione
IUPAC
2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione
English name
2-{[benzyl(methyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
Molecular formula
C17H16N2O2
Molecular weight
280.32

Names & synonyms

2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione57675-92-02-{[benzyl(methyl)amino]methyl}-1H-isoindole-1,3(2H)-dioneOprea1_184767Oprea1_796217AKOS001365403ST50183370AG-690/11449087SR-01000107007SR-01000107007-1Z440927702-{[methylbenzylamino]methyl}benzo[c]azolidine-1,3-dione
Show more names
2-((BENZYL-METHYL-AMINO)-METHYL)-ISOINDOLE-1,3-DIONE1H-Isoindole-1,3(2H)-dione, 2-[[methyl(phenylmethyl)amino]methyl]-

Database identifiers

CAS
57675-92-0
PubChem CID
732239
EC Number
141-261-1

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Formal charge
0
Complexity
380

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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