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Home > Other Heterocycles > 1221818-02-5
1221818-02-5 | exo-7-Boc-7-azabicyclo[2.2.1]heptan-2-yl benzylcarbamate racemate
CAS No: 1221818-02-5 Catalog No: AG01DUOD MDL No:MFCD18433538
Product Description
Catalog Number:
AG01DUOD
Chemical Name:
exo-7-Boc-7-azabicyclo[2.2.1]heptan-2-yl benzylcarbamate racemate
CAS Number:
1221818-02-5
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
MDL Number:
MFCD18433538
IUPAC Name:
tert-butyl 2-(phenylmethoxycarbonylamino)-7-azabicyclo[2.2.1]heptane-7-carboxylate
InChI:
InChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)21-14-9-10-16(21)15(11-14)20-17(22)24-12-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,20,22)
InChI Key:
GTHIMSKFPVNTLG-UHFFFAOYSA-N
SMILES:
O=C(NC1CC2N(C1CC2)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.427g/mol
Monoisotopic Mass:
346.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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