Name: Name:1,4-Naphthalenedione, 2-amino-
Brand: Angene
SKU: AG002NDM
Rating: 90 (10 reviews)

1,4-Naphthalenedione, 2-amino-

CAS No.:

2348-81-4

Catalog Number:

AG002NDM

Molecular Formula:

C10H7NO2

Molecular Weight:

173.1681

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG002NDM

Chemical Name:

1,4-Naphthalenedione, 2-amino-

CAS Number:

2348-81-4

Molecular Formula:

C10H7NO2

Molecular Weight:

173.1681

MDL Number:

MFCD00795986

IUPAC Name:

2-aminonaphthalene-1,4-dione

InChI:

InChI=1S/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2

InChI Key:

CYCRZLRIJWDWCM-UHFFFAOYSA-N

SMILES:

O=C1C=C(N)C(=O)c2c1cccc2

UNII:

7GHA3V7I78

NSC Number:

7936

Properties

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.171g/mol

Monoisotopic Mass:

173.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties