Home Other Building Blocks Tert-Butyl Hexahydro-1H-3A,7-Epoxypyrrolo[3,4-C]Azepine-5(4H)-Carboxylate

Tert-Butyl Hexahydro-1H-3A,7-Epoxypyrrolo[3,4-C]Azepine-5(4H)-Carboxylate

CAS No.:
1250998-27-6
Catalog Number:
AG019ETO
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$378
- +
250mg
95%
In Stock USA
United States
$714
- +
1g
95%
In Stock USA
United States
$1428
- +
5g
95%
In Stock USA
United States
$4284
- +
Product Description
Catalog Number:
AG019ETO
Chemical Name:
Tert-Butyl Hexahydro-1H-3A,7-Epoxypyrrolo[3,4-C]Azepine-5(4H)-Carboxylate
CAS Number:
1250998-27-6
Molecular Formula:
C13H22N2O3
Molecular Weight:
254.3254
MDL Number:
MFCD17016829
IUPAC Name:
tert-butyl 11-oxa-3,9-diazatricyclo[5.3.1.01,5]undecane-9-carboxylate
InChI:
InChI=1S/C13H22N2O3/c1-12(2,3)18-11(16)15-6-10-4-9-5-14-7-13(9,8-15)17-10/h9-10,14H,4-8H2,1-3H3
InChI Key:
JKEWRXWYSXKVEV-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC3C(C1)(O2)CNC3)OC(C)(C)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.33g/mol
Monoisotopic Mass:
254.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties