2,3,4,5-tetrahydro-1H-1-benzazepine-2,5-dione

HCID 369398CAS 16511-38-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CCC(=O)c2ccccc2N1
InChIKey: VDTXDALRBZEUFV-UHFFFAOYSA-N
Molecular formula: C10H9NO2
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.06332853

Names & identifiers

Preferred name: 2,3,4,5-tetrahydro-1H-1-benzazepine-2,5-dione
IUPAC: 3,4-dihydro-1H-1-benzazepine-2,5-dione
English name: 1H-[1]-Benzazephe-2,5(3H, 4H)-dione
Molecular formula: C10H9NO2
Molecular weight: 175.18

Names & synonyms

2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-2,5-DIONERefChem:441683828-839-516511-38-93,4-Dihydro-1H-1-benzazepine-2,5-dione3,4-Dihydro-1H-benzo[b]azepine-2,5-dione3,4-Dihydrobenzo[b]azepine-2,5-dione1H-1-Benzazepine-2,5-dione, 3,4-dihydro-MFCD021679721H-[1]-Benzazephe-2,5(3H,4H)-dioneNSC641163DTXSID10327275

Show more names

NSC 6411631H-[1]-Benzazepin-2,5(3H,4H)-dioneethyl 5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate

1h-[1]benzazepin-2,5(3h, 4h)-dioneAS-504392,3,4,5-tetrahydro-1H-Benzazepine-2,5-dioneF8889-35751H-[1]-BENZAZEPHE-2,5(3H, 4H)-DIONEAMY7836A854073SCHEMBL1185391

Database identifiers

CAS: 16511-38-9
PubChem CID: 369398
DTXSID: DTXSID10327275
ChEMBL: CHEMBL1965095
EC Number: 828-839-5
Nikkaji: J102.519H

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 177 · 177-179°C
Boiling point: 393.5 · 393.5±31.0 °C(Predicted)
Density: 1.224 · 1.224±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform
form: Solid
pka: 13.88 · 13.88±0.20(Predicted)
color: Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P302+P352-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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.