Home Other Building Blocks Pyrrolo[3,4-b]-1,4-oxazine, octahydro-, hydrochloride (1:2), (4aS,7aS)-

Pyrrolo[3,4-b]-1,4-oxazine, octahydro-, hydrochloride (1:2), (4aS,7aS)-

CAS No.:
1881275-73-5
Catalog Number:
AG002GPV
Molecular Formula:
C6H14Cl2N2O
Molecular Weight:
201.0942
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Product Description
Catalog Number:
AG002GPV
Chemical Name:
Pyrrolo[3,4-b]-1,4-oxazine, octahydro-, hydrochloride (1:2), (4aS,7aS)-
CAS Number:
1881275-73-5
Molecular Formula:
C6H14Cl2N2O
Molecular Weight:
201.0942
IUPAC Name:
(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
InChI:
InChI=1S/C6H12N2O.2ClH/c1-2-9-6-4-7-3-5(6)8-1;;/h5-8H,1-4H2;2*1H/t5-,6-;;/m1../s1
InChI Key:
KXFOELXPYXZMLA-BNTLRKBRSA-N
SMILES:
C1CO[C@@H]2[C@@H](N1)CNC2.Cl.Cl
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
200.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
201.091g/mol
Monoisotopic Mass:
200.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties