Name: Name:2,5-Bis(isopropylamino)-1,4-benzoquinone
Brand: Angene
SKU: AG01EUJ4
Rating: 90 (10 reviews)

2,5-Bis(isopropylamino)-1,4-benzoquinone

CAS No.:

21772-34-9

Catalog Number:

AG01EUJ4

Molecular Formula:

C12H18N2O2

Molecular Weight:

222.2835

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

98%

1 week

United States

$344

- +

Product Description

Catalog Number:

AG01EUJ4

Chemical Name:

2,5-Bis(isopropylamino)-1,4-benzoquinone

CAS Number:

21772-34-9

Molecular Formula:

C12H18N2O2

Molecular Weight:

222.2835

MDL Number:

MFCD00971483

IUPAC Name:

2,5-bis(propan-2-ylamino)cyclohexa-2,5-diene-1,4-dione

InChI:

InChI=1S/C12H18N2O2/c1-7(2)13-9-5-12(16)10(6-11(9)15)14-8(3)4/h5-8,13-14H,1-4H3

InChI Key:

PGALAPCRIUJGRC-UHFFFAOYSA-N

SMILES:

CC(NC1=CC(=O)C(=CC1=O)NC(C)C)C

Properties

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.288g/mol

Monoisotopic Mass:

222.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis, biological evaluation, and molecular docking studies of 2,5-substituted-1,4-benzoquinone as novel urease inhibitors.	Bioorganic & medicinal chemistry 20120815