DBCO-PEG9-amine

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CAS2353409-99-9
Purity%
Product CodeF987121
Product NameDBCO-PEG9-amine
CAS2353409-99-9
Molecular weight743.895
IUPAC NameN-(29-amino-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl)-4-{2-azatricyclo[10.4.0.0⁴,⁹]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamide
SMILESNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC2=CC=CC=C12
INCHI CodeInChI=1S/C39H57N3O11/c40-13-15-45-17-19-47-21-23-49-25-27-51-29-31-53-32-30-52-28-26-50-24-22-48-20-18-46-16-14-41-38(43)11-12-39(44)42-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)42/h1-8H,11-33,40H2,(H,41,43)
Asymmetric atoms0
LogP0.96915174
H bond acceptors12
H bond donors2
fsp30.5897436
Concept CodesAlkyne, Terminal alkyne, Ether, Heterocycle, Amide, Primary amine, Amine (P+S+T), Terminal alkyne (aliphatic hydrocarbon), Terminal alkyne (aromatic hydrocarbon), Cyclic, Aromatic, PEG-2