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tert-butyl 3-[2-({2-[3-(tert-butoxy)-3-oxopropoxy]ethyl}(2-hydroxyethyl)amino)ethoxy]propanoate

tert-butyl 3-[2-({2-[3-(tert-butoxy)-3-oxopropoxy]ethyl}(2-hydroxyethyl)amino)ethoxy]propanoate

CAS: 1415800-34-8

Formula: C20H39NO7

SMILES: CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C

IUPAC: tert-butyl 3-[2-({2-[3-(tert-butoxy)-3-oxopropoxy]ethyl}(2-hydroxyethyl)amino)ethoxy]propanoate

InChI: InChI=1S/C20H39NO7/c1-19(2,3)27-17(23)7-13-25-15-10-21(9-12-22)11-16-26-14-8-18(24)28-20(4,5)6/h22H,7-16H2,1-6H3

Composition: C (59.24%), H (9.69%), N (3.45%), O (27.62%)

Molar Mass: 405.532

Atom Count: 67

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 405.2726526
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey OUIZBEKRHPKXAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.08
Topological Polar Surface Area 94.53
Polarizability 42.68
Ring Count 0
Rotatable Bond Count 18

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Purity (%)
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Ships Within
Days
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1415800-34-8 $264.60-$1,464.75$264.60$510.30$1,464.75
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