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Home Aminos 4-Diethylaminomethyl-benzoic acid

4-Diethylaminomethyl-benzoic acid

CAS No.:
62642-59-5
Catalog Number:
AG00EFFE
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99%
1 week
United States
$199
- +
1g
≥ 99%
1 week
United States
$345
- +
5g
≥ 99%
1 week
United States
$1485
- +
Product Description
Catalog Number:
AG00EFFE
Chemical Name:
4-Diethylaminomethyl-benzoic acid
CAS Number:
62642-59-5
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD03142450
IUPAC Name:
4-(diethylaminomethyl)benzoic acid
InChI:
InChI=1S/C12H17NO2/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChI Key:
LXMSVTJNSQLXGX-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)C(=O)O)CC
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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