Home Carboxys tert-butyl rac-(4aS,7aR)-hexahydropyrrolo[3,4-b][1,4]oxazine-4(4aH)-carboxylate

tert-butyl rac-(4aS,7aR)-hexahydropyrrolo[3,4-b][1,4]oxazine-4(4aH)-carboxylate

CAS No.:
1312131-49-9
Catalog Number:
AG00J2TR
Molecular Formula:
C11H21ClN2O3
Molecular Weight:
264.7490
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Product Description
Catalog Number:
AG00J2TR
Chemical Name:
tert-butyl rac-(4aS,7aR)-hexahydropyrrolo[3,4-b][1,4]oxazine-4(4aH)-carboxylate
CAS Number:
1312131-49-9
Molecular Formula:
C11H21ClN2O3
Molecular Weight:
264.7490
MDL Number:
MFCD28038711
IUPAC Name:
tert-butyl (4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylate
InChI:
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-4-5-15-9-7-12-6-8(9)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key:
YLMNCYATSGIUDS-DTWKUNHWSA-N
SMILES:
O=C(N1CCO[C@H]2[C@@H]1CNC2)OC(C)(C)C.Cl
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
228.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.292g/mol
Monoisotopic Mass:
228.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties