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tert-butyl 3-[4-(2-aminoethyl)phenyl]propanoate

tert-butyl 3-[4-(2-aminoethyl)phenyl]propanoate

CAS: 120225-79-8

Formula: C15H23NO2

SMILES: CC(C)(C)OC(=O)CCC1=CC=C(CCN)C=C1

IUPAC: tert-butyl 3-[4-(2-aminoethyl)phenyl]propanoate

InChI: InChI=1S/C15H23NO2/c1-15(2,3)18-14(17)9-8-12-4-6-13(7-5-12)10-11-16/h4-7H,8-11,16H2,1-3H3

Composition: C (72.25%), H (9.30%), N (5.62%), O (12.83%)

Molar Mass: 249.354

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.172878985
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AREBZMHRZKQVFT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.77
Topological Polar Surface Area 52.32
Polarizability 29.12
Ring Count 1
Rotatable Bond Count 7

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96% <2 Days 120225-79-8 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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