Home Other Building Blocks 3-Amino-2-naphthoic acid

3-Amino-2-naphthoic acid

CAS No.:
5959-52-4
Catalog Number:
AG0035UE
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$145
- +
25g
97%
In Stock USA
United States
$500
- +
100g
97%
In Stock USA
United States
$1350
- +
Product Description
Catalog Number:
AG0035UE
Chemical Name:
3-Amino-2-naphthoic acid
CAS Number:
5959-52-4
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00004115
IUPAC Name:
3-aminonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
InChI Key:
XFXOLBNQYFRSLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2cc1N
EC Number:
227-726-2
UNII:
IV5Z0PHL5D
NSC Number:
37061
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Fragment-based design of symmetrical bis-benzimidazoles as selective inhibitors of the trimethoprim-resistant, type II R67 dihydrofolate reductase. Journal of medicinal chemistry 20120412
Novel indoleamine 2,3-dioxygenase-1 inhibitors from a multistep in silico screen. Bioorganic & medicinal chemistry 20120201
Simultaneous quantification of levetiracetam and gabapentin in plasma by ultra-pressure liquid chromatography coupled with tandem mass spectrometry detection. Therapeutic drug monitoring 20110401
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Direct formation of ring-fused 1,3-thiazine-2,4-dithiones from aromatic o-amino carboxylic acids: observation of a carbon disulfide mediated thionation. Organic letters 20100820
Synthesis and biological properties of benzo-annulated rutaecarpines. Biological & pharmaceutical bulletin 20100101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity. The Analyst 20040601
Properties