Home Carboxys (4aS,8aS)-tert-butyl hexahydro-2H-pyrido[4,3-b][1,4]oxazine-4(3H)-carboxylate

(4aS,8aS)-tert-butyl hexahydro-2H-pyrido[4,3-b][1,4]oxazine-4(3H)-carboxylate

CAS No.:
1821773-80-1
Catalog Number:
AG01DHEW
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
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Product Description
Catalog Number:
AG01DHEW
Chemical Name:
(4aS,8aS)-tert-butyl hexahydro-2H-pyrido[4,3-b][1,4]oxazine-4(3H)-carboxylate
CAS Number:
1821773-80-1
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
IUPAC Name:
tert-butyl (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine-4-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-7-16-10-4-5-13-8-9(10)14/h9-10,13H,4-8H2,1-3H3/t9-,10-/m0/s1
InChI Key:
OAJIQHJOQXQMMQ-UWVGGRQHSA-N
SMILES:
O=C(N1CCO[C@@H]2[C@@H]1CNCC2)OC(C)(C)C
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties