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3-butyl-1-heptadecylurea

3-butyl-1-heptadecylurea

Formula: C22H46N2O

SMILES: CCCCCCCCCCCCCCCCCNC(=O)NCCCC

IUPAC: 3-butyl-1-heptadecylurea

InChI: InChI=1S/C22H46N2O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22(25)23-20-6-4-2/h3-21H2,1-2H3,(H2,23,24,25)

Composition: C (74.51%), H (13.08%), N (7.90%), O (4.51%)

Molar Mass: 354.623

Atom Count: 71

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 354.361014109
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey NVLKLEQWSPDNAT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 110.5
Topological Polar Surface Area 41.13
Polarizability 43.62
Ring Count 0
Rotatable Bond Count 19

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H46N2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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