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Home > Other Heterocycles > 1822844-54-1
1822844-54-1 | benzyl N-{2-azabicyclo[2.1.1]hexan-5-yl}carbamate
CAS No: 1822844-54-1 Catalog No: AG01C4P3 MDL No:MFCD29906956
Product Description
Catalog Number:
AG01C4P3
Chemical Name:
benzyl N-{2-azabicyclo[2.1.1]hexan-5-yl}carbamate
CAS Number:
1822844-54-1
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD29906956
IUPAC Name:
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
InChI:
InChI=1S/C13H16N2O2/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H,15,16)
InChI Key:
FPINETZHLHKVQZ-UHFFFAOYSA-N
SMILES:
O=C(NC1C2NCC1C2)OCc1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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