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methyl (3S,4S)-4-amino-1-benzylpiperidine-3-carboxylate hydrochloride

methyl (3S,4S)-4-amino-1-benzylpiperidine-3-carboxylate hydrochloride

CAS: 1398504-05-6

Formula: C14H21ClN2O2

SMILES: Cl.COC(=O)[C@H]1CN(CC2=CC=CC=C2)CC[C@@H]1N

IUPAC: methyl (3S,4S)-4-amino-1-benzylpiperidine-3-carboxylate hydrochloride

InChI: InChI=1S/C14H20N2O2.ClH/c1-18-14(17)12-10-16(8-7-13(12)15)9-11-5-3-2-4-6-11;/h2-6,12-13H,7-10,15H2,1H3;1H/t12-,13-;/m0./s1

Composition: C (59.05%), H (7.43%), Cl (12.45%), N (9.84%), O (11.24%)

Molar Mass: 284.78

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 284.1291556
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JDJLOUBQBCYCEN-QNTKWALQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.73
Topological Polar Surface Area 55.56
Polarizability 28.15
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1398504-05-6 $329.13-$1,984.10$329.13$710.01$1,984.10
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