Home Carboxys tert-Butyl hexahydro-1h-pyrrolo[3,2-c]pyridine-5(6h)-carboxylate

tert-Butyl hexahydro-1h-pyrrolo[3,2-c]pyridine-5(6h)-carboxylate

CAS No.:
1160247-99-3
Catalog Number:
AG000BF1
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$464
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Product Description
Catalog Number:
AG000BF1
Chemical Name:
tert-Butyl hexahydro-1h-pyrrolo[3,2-c]pyridine-5(6h)-carboxylate
CAS Number:
1160247-99-3
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD12198716
IUPAC Name:
tert-butyl 1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-10-9(8-14)4-6-13-10/h9-10,13H,4-8H2,1-3H3
InChI Key:
NVINVTWMFWHTFK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(C1)CCN2)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:
1.3  
Properties