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tert-butyl N-[(3R,4S)-4-(hydroxymethyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-(hydroxymethyl)piperidin-3-yl]carbamate

CAS: 1904089-96-8

Formula: C11H22N2O3

SMILES: CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1CO

IUPAC: tert-butyl N-[(3R,4S)-4-(hydroxymethyl)piperidin-3-yl]carbamate

InChI: InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)/t8-,9+/m1/s1

Composition: C (57.37%), H (9.63%), N (12.16%), O (20.84%)

Molar Mass: 230.308

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 230.163042576
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey MHDNBYFVKCAJOW-BDAKNGLRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.03
Topological Polar Surface Area 70.59
Polarizability 24.34
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1904089-96-8 $243.80-$4,597.70$243.80$373.75$631.35$1,147.70$4,597.70
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