2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione

HCID 339434

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Basic information

CAS: 7736-25-6
Standard SMILES: C=CCCCN1C(=O)c2ccccc2C1=O
InChIKey: BYKYMPVVZNUAEX-UHFFFAOYSA-N
Molecular formula: C13H13NO2
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.09462866

Names & identifiers

Preferred name: 2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-pent-4-enylisoindole-1,3-dione
English name: 2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione
Molecular formula: C13H13NO2
Molecular weight: 215.25

Names & synonyms

2-(pent-4-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:461750976-241-97736-25-62-(PENT-4-EN-1-YL)ISOINDOLINE-1,3-DIONE2-pent-4-enylisoindole-1,3-dione2-pent-4-en-1-yl-1H-isoindole-1,3(2H)-dione2-(pent-4-enyl)-isoindoline-1,3-dioneMFCD00957803SCHEMBL571198DTXSID303209002-(PENT-4-EN-1-YL)ISOINDOLE-1,3-DIONE

Show more names

2-(pent-4-enyl)isoindole-1,3-dione2-(pentyl-4-ene-1-yl)isoindoleline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(4-penten-1-yl)-

SB64813EN300-212162NSC366112N-4-pentenylphthalimN-4-pentenylphthalimideN-(Pent-4-en-1-yl)phthalimideBYKYMPVVZNUAEX-UHFFFAOYSA-NHAA73625

Database identifiers

CAS: 7736-25-6
PubChem CID: 339434
DTXSID: DTXSID30320900
EC Number: 976-241-9
Nikkaji: J929.291H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 287

Physicochemical properties

Melting point: 40 °C · 40 °C
Boiling point: 155 · 155-157 °C(Press: 2 Torr)
Density: 1.164 · 1.164±0.06 g/cm3(Predicted)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Low-Melting Solid
pka: -2.12 · -2.12±0.20(Predicted)
color: White to Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, 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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-(4-Penten-1-yl)-1H-isoindole-1,3(2H)-dione is an intermediate in synthesizing 4-Penten-1-amine (P227400), which in the presence of sugars, lysine, similarly to asparagine and phenylalanine, can undergo carbonyl-assisted decarboxylative deamination reaction to generate pent-4-en-1-amine, the counterpart of acrylamide.