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N-(2H-1,3-benzodioxol-5-ylmethyl)adamantan-1-amine

N-(2H-1,3-benzodioxol-5-ylmethyl)adamantan-1-amine

Formula: C18H23NO2

SMILES: C(NC12CC3CC(CC(C3)C1)C2)C1=CC2=C(OCO2)C=C1

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]adamantan-1-amine

InChI: InChI=1S/C18H23NO2/c1-2-16-17(21-11-20-16)6-12(1)10-19-18-7-13-3-14(8-18)5-15(4-13)9-18/h1-2,6,13-15,19H,3-5,7-11H2

Composition: C (75.76%), H (8.12%), N (4.91%), O (11.21%)

Molar Mass: 285.387

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.172878985
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LYIPGBDYQYFMKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.69
Topological Polar Surface Area 30.49
Polarizability 32.39
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H23NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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