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25070-91-1 | Benzoic acid, 4-[methyl(phenylmethyl)amino]-
CAS No: 25070-91-1 Catalog No: AG002QE9 MDL No:
Product Description
Catalog Number:
AG002QE9
Chemical Name:
Benzoic acid, 4-[methyl(phenylmethyl)amino]-
CAS Number:
25070-91-1
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
4-[benzyl(methyl)amino]benzoic acid
InChI:
InChI=1S/C15H15NO2/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChI Key:
UKLBDSQDVFPZTH-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)O)Cc1ccccc1
NSC Number:
138351
Properties
Complexity:
266
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:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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