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124499-20-3 | Benzeneacetic acid, 4-(2-aminoethyl)-, 1,1-dimethylethyl ester
CAS No: 124499-20-3 Catalog No: AG000M43 MDL No:MFCD04114528
Product Description
Catalog Number:
AG000M43
Chemical Name:
Benzeneacetic acid, 4-(2-aminoethyl)-, 1,1-dimethylethyl ester
CAS Number:
124499-20-3
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
MDL Number:
MFCD04114528
IUPAC Name:
tert-butyl 2-[4-(2-aminoethyl)phenyl]acetate
InChI:
InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)10-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10,15H2,1-3H3
InChI Key:
CMJIKWRJLCDJQU-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)CC(=O)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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