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Home > Other Heterocycles > 155560-04-6
155560-04-6 | Carbamic acid, N-(3-endo)-9-azabicyclo[3.3.1]non-3-yl-, 1,1-dimethylethyl ester
CAS No: 155560-04-6 Catalog No: AG001NZX MDL No:MFCD19707046
Product Description
Catalog Number:
AG001NZX
Chemical Name:
Carbamic acid, N-(3-endo)-9-azabicyclo[3.3.1]non-3-yl-, 1,1-dimethylethyl ester
CAS Number:
155560-04-6
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD19707046
IUPAC Name:
tert-butyl N-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-7-9-5-4-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?
InChI Key:
HWPHWBRCRWNTLX-ZACCUICWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2CCC[C@H](C1)N2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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