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(1R,3S,5S)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid

(1R,3S,5S)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid

CAS: 132-17-2

Formula: C22H29NO4S

SMILES: CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (1R,3S,5S)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid

InChI: InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20+;

Composition: C (65.48%), H (7.24%), N (3.47%), O (15.86%), S (7.94%)

Molar Mass: 403.54

Atom Count: 57

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 403.181729592
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CPFJLLXFNPCTDW-BWSPSPBFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.24
Topological Polar Surface Area 12.47
Polarizability 37.31
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 132-17-2 $26.75-$38.22$26.75$38.22
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