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Home > Other Heterocycles > 2031260-93-0
2031260-93-0 | tert-butyl N-{2-azabicyclo[2.2.2]octan-6-yl}carbamate hydrochloride
CAS No: 2031260-93-0 Catalog No: AG01B79Q MDL No:MFCD30345205
Product Description
Catalog Number:
AG01B79Q
Chemical Name:
tert-butyl N-{2-azabicyclo[2.2.2]octan-6-yl}carbamate hydrochloride
CAS Number:
2031260-93-0
Molecular Formula:
C12H23ClN2O2
Molecular Weight:
262.7762
MDL Number:
MFCD30345205
IUPAC Name:
tert-butyl N-(2-azabicyclo[2.2.2]octan-6-yl)carbamate;hydrochloride
InChI:
InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(10)13-7-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H
InChI Key:
GRVADUPGAADKKC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2CCC1NC2.Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.778g/mol
Monoisotopic Mass:
262.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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