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2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-ol

2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-ol

Formula: C17H22N2O3

SMILES: CC12CN3CC(C)(CN(C1)C3C1=CC=C3OCOC3=C1)C2O

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,?]decan-6-ol

InChI: InChI=1S/C17H22N2O3/c1-16-6-18-8-17(2,15(16)20)9-19(7-16)14(18)11-3-4-12-13(5-11)22-10-21-12/h3-5,14-15,20H,6-10H2,1-2H3

Composition: C (67.53%), H (7.33%), N (9.26%), O (15.87%)

Molar Mass: 302.374

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.163042576
Formal Charge 0
FSP3 0.65
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey UMVCUAYNIMRRFI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.39
Topological Polar Surface Area 45.17
Polarizability 32.69
Ring Count 5
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H22N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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