Home Boronic acids (4-((p-tolylamino)methyl)phenyl)boronic acid

(4-((p-tolylamino)methyl)phenyl)boronic acid

CAS No.:
1190095-11-4
Catalog Number:
AG01EHYC
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
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Product Description
Catalog Number:
AG01EHYC
Chemical Name:
(4-((p-tolylamino)methyl)phenyl)boronic acid
CAS Number:
1190095-11-4
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
MDL Number:
MFCD31916440
IUPAC Name:
[4-[(4-methylanilino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H16BNO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h2-9,16-18H,10H2,1H3
InChI Key:
YOMNWNPLCCZFQN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NCc1ccc(cc1)B(O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.097g/mol
Monoisotopic Mass:
241.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties