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125469-89-8 | Benzenepropanoic acid, α-(aminomethyl)-α-(phenylmethyl)-, methyl ester
CAS No: 125469-89-8 Catalog No: AG000NPT MDL No:MFCD19442796
Product Description
Catalog Number:
AG000NPT
Chemical Name:
Benzenepropanoic acid, α-(aminomethyl)-α-(phenylmethyl)-, methyl ester
CAS Number:
125469-89-8
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
MDL Number:
MFCD19442796
IUPAC Name:
methyl 2-(aminomethyl)-2-benzyl-3-phenylpropanoate
InChI:
InChI=1S/C18H21NO2/c1-21-17(20)18(14-19,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-14,19H2,1H3
InChI Key:
IJMGEQFKUATDAT-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccccc1)(Cc1ccccc1)CN
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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