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2-tert-butyl 3-methyl (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

2-tert-butyl 3-methyl (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

CAS: 1965305-28-5

Formula: C13H21NO4

SMILES: COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C

IUPAC: 2-tert-butyl 3-methyl (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

InChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-9-6-5-8(7-9)10(14)11(15)17-4/h8-10H,5-7H2,1-4H3/t8-,9+,10-/m1/s1

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AMWOORGVXJGKLE-KXUCPTDWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.84
Topological Polar Surface Area 55.84
Polarizability 25.94
Ring Count 2
Rotatable Bond Count 4

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Purity (%)
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1965305-28-5 $11,270.00-$3,447.70$3,447.70$11,270.00
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