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benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride

benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride

CAS: 2602495-23-6

Formula: C14H21ClN2O3

SMILES: Cl.N[C@@H]1CN(CC[C@H]1CO)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride

InChI: InChI=1S/C14H20N2O3.ClH/c15-13-8-16(7-6-12(13)9-17)14(18)19-10-11-4-2-1-3-5-11;/h1-5,12-13,17H,6-10,15H2;1H/t12-,13+;/m0./s1

Composition: C (55.91%), H (7.04%), Cl (11.79%), N (9.31%), O (15.96%)

Molar Mass: 300.78

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 300.1240702
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VRSXTQARKUBRMS-JHEYCYPBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.96
Topological Polar Surface Area 75.79
Polarizability 28.38
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2602495-23-6 $243.80-$7,912.00$243.80$373.75$631.35$1,147.70$2,162.00$7,912.00
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