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124499-19-0 | Acetic acid, 2-[4-(2-aminoethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 124499-19-0 Catalog No: AG000M44 MDL No:MFCD04114527
Product Description
Catalog Number:
AG000M44
Chemical Name:
Acetic acid, 2-[4-(2-aminoethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
124499-19-0
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD04114527
IUPAC Name:
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
InChI:
InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-17-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10,15H2,1-3H3
InChI Key:
YUDXZCVRFJCEAH-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)OCC(=O)OC(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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