Home Aminos Dimethyl 5-aminoisophthalate

Dimethyl 5-aminoisophthalate

CAS No.:
99-27-4
Catalog Number:
AG006ONI
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$8
- +
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$24
- +
100g
95%
In Stock USA
United States
$94
- +
Product Description
Catalog Number:
AG006ONI
Chemical Name:
Dimethyl 5-aminoisophthalate
CAS Number:
99-27-4
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00008435
IUPAC Name:
dimethyl 5-aminobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
InChI Key:
DEKPYXUDJRABNK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)cc(c1)C(=O)OC
EC Number:
202-743-8
NSC Number:
34721
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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