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Home Aminos 3-Amino-4-[(tetrahydro-2-furanylmethyl)amino]benzoic acid

3-Amino-4-[(tetrahydro-2-furanylmethyl)amino]benzoic acid

CAS No.:
693812-83-8
Catalog Number:
AG006F87
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG006F87
Chemical Name:
3-Amino-4-[(tetrahydro-2-furanylmethyl)amino]benzoic acid
CAS Number:
693812-83-8
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD04210498
IUPAC Name:
3-amino-4-(oxolan-2-ylmethylamino)benzoic acid
InChI:
InChI=1S/C12H16N2O3/c13-10-6-8(12(15)16)3-4-11(10)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2,(H,15,16)
InChI Key:
NOQZJPNPEJXAFH-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1NCC1CCCO1)C(=O)O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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