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tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate

tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate

CAS: 124499-19-0

Formula: C14H21NO3

SMILES: CC(C)(C)OC(=O)COC1=CC=C(CCN)C=C1

IUPAC: 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

Composition: C (66.91%), H (8.42%), N (5.57%), O (19.10%)

Molar Mass: 251.326

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.15214354
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YUDXZCVRFJCEAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.41
Topological Polar Surface Area 61.55
Polarizability 27.95
Ring Count 1
Rotatable Bond Count 7

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96% <2 Days 124499-19-0 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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