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(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-phenylpiperidine hydrochloride

(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-phenylpiperidine hydrochloride

CAS: 324024-00-2

Formula: C19H22ClNO3

SMILES: Cl.C(OC1=CC2=C(OCO2)C=C1)[C@@H]1CNCC[C@H]1C1=CC=CC=C1

IUPAC: (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-phenylpiperidine hydrochloride

InChI: InChI=1S/C19H21NO3.ClH/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18;/h1-7,10,15,17,20H,8-9,11-13H2;1H/t15-,17-;/m0./s1

Composition: C (65.61%), H (6.38%), Cl (10.19%), N (4.03%), O (13.80%)

Molar Mass: 347.84

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 347.1288213
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XLYKTAGGMBYJOB-NBLXOJGSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.81
Topological Polar Surface Area 39.72
Polarizability 34.83
Ring Count 4
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 324024-00-2 $46.92-$160.14$46.92$160.14
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