Home Carboxys (3Ar,7ar)-rel-tert-butyl hexahydro-1h-pyrrolo[3,4-c]pyridine-2(3h)-carboxylate

(3Ar,7ar)-rel-tert-butyl hexahydro-1h-pyrrolo[3,4-c]pyridine-2(3h)-carboxylate

CAS No.:
236406-56-7
Catalog Number:
AG002O0G
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$571
- +
1g
95%
1 week
United States
$1371
- +
Product Description
Catalog Number:
AG002O0G
Chemical Name:
(3Ar,7ar)-rel-tert-butyl hexahydro-1h-pyrrolo[3,4-c]pyridine-2(3h)-carboxylate
CAS Number:
236406-56-7
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD08234697
IUPAC Name:
tert-butyl 1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-4-5-13-6-10(9)8-14/h9-10,13H,4-8H2,1-3H3
InChI Key:
CQJSNQCNXVJXDM-UHFFFAOYSA-N
SMILES:
O=C(N1C[C@@H]2[C@H](C1)CCNC2)OC(C)(C)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties