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benzyl (3S)-3-aminopiperidine-1-carboxylate hydrochloride

benzyl (3S)-3-aminopiperidine-1-carboxylate hydrochloride

CAS: 876378-16-4

Formula: C13H19ClN2O2

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

IUPAC: benzyl (3S)-3-aminopiperidine-1-carboxylate hydrochloride

InChI: InChI=1S/C13H18N2O2.ClH/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H/t12-;/m0./s1

Composition: C (57.67%), H (7.07%), Cl (13.09%), N (10.35%), O (11.82%)

Molar Mass: 270.76

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 270.1135056
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ODSBVOIXQVBLEU-YDALLXLXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.66
Topological Polar Surface Area 55.56
Polarizability 25.91
Ring Count 2
Rotatable Bond Count 3

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97% <5 Days 876378-16-4 $22.70-$56.75$22.70$56.75
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