Name: Name:3,4-Dihydro-1h-benzo[b]azepine-2,5-dione
Brand: Angene
SKU: AG001V90
Rating: 90 (10 reviews)

3,4-Dihydro-1h-benzo[b]azepine-2,5-dione

CAS No.:

16511-38-9

Catalog Number:

AG001V90

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

Pack Size

Purity

Availability

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Price(USD)

Quantity

95%

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United States

$458

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Product Description

Catalog Number:

AG001V90

Chemical Name:

3,4-Dihydro-1h-benzo[b]azepine-2,5-dione

CAS Number:

16511-38-9

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD02167972

IUPAC Name:

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

InChI:

InChI=1S/C10H9NO2/c12-9-5-6-10(13)11-8-4-2-1-3-7(8)9/h1-4H,5-6H2,(H,11,13)

InChI Key:

VDTXDALRBZEUFV-UHFFFAOYSA-N

SMILES:

O=C1CCC(=O)c2c(N1)cccc2

NSC Number:

641163

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.187g/mol

Monoisotopic Mass:

175.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com.	Bioorganic & medicinal chemistry letters 20060201

Properties