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CAS No.:
1335149-56-8
Catalog Number:
AG01DUVC
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG01DUVC
CAS Number:
1335149-56-8
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD18632657
IUPAC Name:
tert-butyl (3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-9-8-13-6-4-10(9)14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChI Key:
HMLJDLIVSQQLPO-VHSXEESVSA-N
SMILES:
O=C(N1CC[C@@H]2[C@H]1CCNC2)OC(C)(C)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties