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(3S)-N-[(1S)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

(3S)-N-[(1S)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

CAS: 120570-09-4

Formula: C15H24Cl2N2

SMILES: Cl.Cl.C[C@H](N[C@@H]1CN2CC[C@H]1CC2)C1=CC=CC=C1

IUPAC: (3S)-N-[(1S)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

InChI: InChI=1S/C15H22N2.2ClH/c1-12(13-5-3-2-4-6-13)16-15-11-17-9-7-14(15)8-10-17;;/h2-6,12,14-16H,7-11H2,1H3;2*1H/t12-,15+;;/m0../s1

Composition: C (59.41%), H (7.98%), Cl (23.38%), N (9.24%)

Molar Mass: 303.27

Atom Count: 43

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 302.1316542
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BABMCKVVGDIUCA-XQFYMRMDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.7
Topological Polar Surface Area 15.27
Polarizability 28.55
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 120570-09-4 $64.17-$231.84$64.17$116.96$231.84
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 120570-09-4 $113.85-$330.05$113.85$182.85$330.05
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