Home Carboxys octahydropyrrolo[1,2-a]piperazine-1-carboxylic acid dihydrochloride

octahydropyrrolo[1,2-a]piperazine-1-carboxylic acid dihydrochloride

CAS No.:
1803566-98-4
Catalog Number:
AG01BAP3
Molecular Formula:
C8H16Cl2N2O2
Molecular Weight:
243.1308
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Product Description
Catalog Number:
AG01BAP3
Chemical Name:
octahydropyrrolo[1,2-a]piperazine-1-carboxylic acid dihydrochloride
CAS Number:
1803566-98-4
Molecular Formula:
C8H16Cl2N2O2
Molecular Weight:
243.1308
MDL Number:
MFCD28397708
IUPAC Name:
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H14N2O2.2ClH/c11-8(12)7-6-2-1-4-10(6)5-3-9-7;;/h6-7,9H,1-5H2,(H,11,12);2*1H
InChI Key:
NADRWRRMJFOVOR-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCN2C1CCC2.Cl.Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
243.128g/mol
Monoisotopic Mass:
242.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties