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14209-66-6 | Benzoic acid, 4-(aminomethyl)-, phenylmethyl ester
CAS No: 14209-66-6 Catalog No: AG001HRN MDL No:MFCD13329539
Product Description
Catalog Number:
AG001HRN
Chemical Name:
Benzoic acid, 4-(aminomethyl)-, phenylmethyl ester
CAS Number:
14209-66-6
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD13329539
IUPAC Name:
benzyl 4-(aminomethyl)benzoate
InChI:
InChI=1S/C15H15NO2/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChI Key:
FCGLCSVHSUTHOE-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)C(=O)OCc1ccccc1
Properties
Complexity:
253
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:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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