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Home Aminos 5-[(diethylamino)methyl]-2-furoic acid

5-[(diethylamino)methyl]-2-furoic acid

CAS No.:
459795-81-4
Catalog Number:
AG00DCVO
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$858
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Product Description
Catalog Number:
AG00DCVO
Chemical Name:
5-[(diethylamino)methyl]-2-furoic acid
CAS Number:
459795-81-4
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD03110570
IUPAC Name:
5-(diethylaminomethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C10H15NO3/c1-3-11(4-2)7-8-5-6-9(14-8)10(12)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChI Key:
ALYTXWLGZOQUNG-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(o1)C(=O)O)CC
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
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