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tert-butyl N-[3-({4-[(tert-butoxycarbonyl)amino]butyl}amino)propyl]carbamate

tert-butyl N-[3-({4-[(tert-butoxycarbonyl)amino]butyl}amino)propyl]carbamate

CAS: 83392-10-3

Formula: C17H35N3O4

SMILES: CC(C)(C)OC(=O)NCCCCNCCCNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{3-[(4-{[(tert-butoxy)carbonyl]amino}butyl)amino]propyl}carbamate

InChI: InChI=1S/C17H35N3O4/c1-16(2,3)23-14(21)19-12-8-7-10-18-11-9-13-20-15(22)24-17(4,5)6/h18H,7-13H2,1-6H3,(H,19,21)(H,20,22)

Composition: C (59.10%), H (10.21%), N (12.16%), O (18.52%)

Molar Mass: 345.484

Atom Count: 59

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 345.262756619
Formal Charge 0
FSP3 0.88
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey IGJAYGNJQNIACJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.71
Topological Polar Surface Area 88.69
Polarizability 37.39
Ring Count 0
Rotatable Bond Count 13

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Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 83392-10-3 Quote Only
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 83392-10-3 $148.80-$226.98$148.80$226.98
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