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tert-butyl N-[2-(2-{2-[(4-azidophenyl)formamido]ethoxy}ethoxy)ethyl]carbamate

tert-butyl N-[2-(2-{2-[(4-azidophenyl)formamido]ethoxy}ethoxy)ethyl]carbamate

CAS: 2279124-06-8

Formula: C18H27N5O5

SMILES: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)N=[N+]=[N-]

IUPAC: tert-butyl N-[2-(2-{2-[(4-azidophenyl)formamido]ethoxy}ethoxy)ethyl]carbamate

InChI: InChI=1S/C18H27N5O5/c1-18(2,3)28-17(25)21-9-11-27-13-12-26-10-8-20-16(24)14-4-6-15(7-5-14)22-23-19/h4-7H,8-13H2,1-3H3,(H,20,24)(H,21,25)

Composition: C (54.95%), H (6.92%), N (17.80%), O (20.33%)

Molar Mass: 393.444

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 393.201218989
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey DCRDDEPBILVDND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.23
Topological Polar Surface Area 115.32
Polarizability 39.05
Ring Count 1
Rotatable Bond Count 13

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2279124-06-8 $1,549.80-$2,182.95$1,549.80$2,182.95
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