Home Carboxys Methyl 3-aminonaphthalene-2-carboxylate

Methyl 3-aminonaphthalene-2-carboxylate

CAS No.:
21597-54-6
Catalog Number:
AG0070JI
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1015
- +
10g
98%
In Stock USA
United States
$1508
- +
Product Description
Catalog Number:
AG0070JI
Chemical Name:
Methyl 3-aminonaphthalene-2-carboxylate
CAS Number:
21597-54-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD03425257
IUPAC Name:
methyl 3-aminonaphthalene-2-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,13H2,1H3
InChI Key:
WHMQTPBEFHEYJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2cc1N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Novel indoleamine 2,3-dioxygenase-1 inhibitors from a multistep in silico screen. Bioorganic & medicinal chemistry 20120201
Properties