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890091-42-6 | O-(2-Aminoethyl)-O'-[2-(Boc-amino)ethyl]decaethylene glycol
CAS No: 890091-42-6 Catalog No: AG0044VD MDL No:
Product Description
Catalog Number:
AG0044VD
Chemical Name:
O-(2-Aminoethyl)-O'-[2-(Boc-amino)ethyl]decaethylene glycol
CAS Number:
890091-42-6
Molecular Formula:
C29H60N2O13
Molecular Weight:
644.7923
IUPAC Name:
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
InChI:
InChI=1S/C29H60N2O13/c1-29(2,3)44-28(32)31-5-7-34-9-11-36-13-15-38-17-19-40-21-23-42-25-27-43-26-24-41-22-20-39-18-16-37-14-12-35-10-8-33-6-4-30/h4-27,30H2,1-3H3,(H,31,32)
InChI Key:
GISRSYIQHFGCMC-UHFFFAOYSA-N
SMILES:
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
644.41g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
644.8g/mol
Monoisotopic Mass:
644.41g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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