Home Carboxys (4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate

(4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate

CAS No.:
159991-07-8
Catalog Number:
AG001RKW
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96.5%
1 week
United States
$625
- +
Product Description
Catalog Number:
AG001RKW
Chemical Name:
(4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate
CAS Number:
159991-07-8
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD11973767
IUPAC Name:
tert-butyl (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChI Key:
LGEWGFOMLJQHLL-VHSXEESVSA-N
SMILES:
O=C(N1CCC[C@@H]2[C@H]1CNC2)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