Home Other Building Blocks 1-[decahydropyrrolo[3,4-d]azepin-6-yl]ethan-1-one dihydrochloride, cis

1-[decahydropyrrolo[3,4-d]azepin-6-yl]ethan-1-one dihydrochloride, cis

CAS No.:
1807920-10-0
Catalog Number:
AG01AM9I
Molecular Formula:
C10H20Cl2N2O
Molecular Weight:
255.1846
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Product Description
Catalog Number:
AG01AM9I
Chemical Name:
1-[decahydropyrrolo[3,4-d]azepin-6-yl]ethan-1-one dihydrochloride, cis
CAS Number:
1807920-10-0
Molecular Formula:
C10H20Cl2N2O
Molecular Weight:
255.1846
MDL Number:
MFCD28968401
IUPAC Name:
1-[(3aS,8aR)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl]ethanone;dihydrochloride
InChI:
InChI=1S/C10H18N2O.2ClH/c1-8(13)12-4-2-9-6-11-7-10(9)3-5-12;;/h9-11H,2-7H2,1H3;2*1H/t9-,10+;;
InChI Key:
SXFLXFZEMZCVJG-BUQWBUBUSA-N
SMILES:
CC(=O)N1CC[C@@H]2[C@H](CC1)CNC2.Cl.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.183g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties