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(4E)-cyclooct-4-en-1-yl N-(20-amino-3,6,9,12,15,18-hexaoxaicosan-1-yl)carbamate

(4E)-cyclooct-4-en-1-yl N-(20-amino-3,6,9,12,15,18-hexaoxaicosan-1-yl)carbamate

CAS: 2353409-94-4

Formula: C23H44N2O8

SMILES: NCCOCCOCCOCCOCCOCCOCCNC(=O)OC1CCCC=CCC1

IUPAC: (4E)-cyclooct-4-en-1-yl N-(20-amino-3,6,9,12,15,18-hexaoxaicosan-1-yl)carbamate

InChI: InChI=1/C23H44N2O8/c24-8-10-27-12-14-29-16-18-31-20-21-32-19-17-30-15-13-28-11-9-25-23(26)33-22-6-4-2-1-3-5-7-22/h1-2,22H,3-21,24H2,(H,25,26)/b2-1+

Composition: C (57.96%), H (9.31%), N (5.88%), O (26.85%)

Molar Mass: 476.611

Atom Count: 77

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 476.309766385
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey UWVQQISAJNIKQB-OWOJBTEDNA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.53
Topological Polar Surface Area 119.73
Polarizability 49.78
Ring Count 1
Rotatable Bond Count 22

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2353409-94-4 $207.90-$595.35$207.90$217.35$359.10$595.35
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