Home Amines 1181320-54-6
1181320-54-6,MFCD11895576
Catalog No.:AA003I54
1181320-54-6 | 3'-(Dimethylamino)biphenyl-3-carboxylic acid
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1g
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$477.00   $334.00
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Technical Information
Catalog Number:
AA003I54
Chemical Name:
3'-(Dimethylamino)biphenyl-3-carboxylic acid
CAS Number:
1181320-54-6
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD11895576
IUPAC Name:
3-[3-(dimethylamino)phenyl]benzoic acid
InChI:
InChI=1S/C15H15NO2/c1-16(2)14-8-4-6-12(10-14)11-5-3-7-13(9-11)15(17)18/h3-10H,1-2H3,(H,17,18)
InChI Key:
IGKUVSHRCBIVKZ-UHFFFAOYSA-N
SMILES:
CN(c1cccc(c1)c1cccc(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
1181320-54-6 
3'-(DIMETHYLAMINO)BIPHENYL-3-CARBOXYLIC ACID 
3'-(Dimethylamino)[1,1'-biphenyl]-3-carboxylic acid 
3'-(Dimethylamino)-[1,1'-biphenyl]-3-carboxylic acid 
AV4 
3-(Dimethylamino)biphenyl-3-carboxylic acid 
3-[3-(dimethylamino)phenyl]benzoic acid 
CTK4B0572 
DTXSID20653496 
MFCD11895576 
ZINC31996916 
AKOS015850829 
TR-034189 
Literature
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