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tert-butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate

tert-butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate

CAS: 403802-41-5

Formula: C13H21NO3

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C#CCO

IUPAC: tert-butyl 4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate

InChI: InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,6-10H2,1-3H3

Composition: C (65.25%), H (8.85%), N (5.85%), O (20.06%)

Molar Mass: 239.315

Atom Count: 38

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 239.15214354
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FUIPHCXERBVLBP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.72
Topological Polar Surface Area 49.77
Polarizability 25.39
Ring Count 1
Rotatable Bond Count 4

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 403802-41-5 $371.45-$952.66$371.45$371.45$536.42$536.42$952.66$952.66
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LabNetwork INC
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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 403802-41-5 $204.12-$2,041.20$204.12$340.20$680.40$2,041.20
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