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tert-butyl N-[(3R,4S)-4-methylpiperidin-3-yl]carbamate; tert-butyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-methylpiperidin-3-yl]carbamate; tert-butyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate

CAS: 250275-23-1

Formula: C22H44N4O4

SMILES: C[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C

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

InChI: InChI=1S/2C11H22N2O2/c2*1-8-5-6-12-7-9(8)13-10(14)15-11(2,3)4/h2*8-9,12H,5-7H2,1-4H3,(H,13,14)/t2*8-,9-/m10/s1

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 428.618

Atom Count: 74

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 428.336255913
Formal Charge 0
FSP3 0.91
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SNFFGFSWJOHPGF-MFBWXLJUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.2
Topological Polar Surface Area 50.36
Polarizability 23.69
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 250275-23-1 $362.88-$680.40$362.88$680.40
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