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10-tert-butyl-N-(2-methylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

10-tert-butyl-N-(2-methylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

Formula: C23H23NO

SMILES: CC1=CC=CC=C1NC1=CC=CC2=C1OC1=C2C=CC=C1C(C)(C)C

IUPAC: 10-tert-butyl-N-(2-methylphenyl)-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine

InChI: InChI=1S/C23H23NO/c1-15-9-5-6-13-19(15)24-20-14-8-11-17-16-10-7-12-18(23(2,3)4)21(16)25-22(17)20/h5-14,24H,1-4H3

Composition: C (83.85%), H (7.04%), N (4.25%), O (4.86%)

Molar Mass: 329.443

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 329.177964365
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RLTYMXMRZGMDAQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 103.42
Topological Polar Surface Area 25.17
Polarizability 42.22
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C23H23NO Quote Only