Home Carboxys 5-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid dihydrochloride

5-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid dihydrochloride

CAS No.:
1432678-07-3
Catalog Number:
AG01A36O
Molecular Formula:
C8H16Cl2N2O2
Molecular Weight:
243.1308
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Product Description
Catalog Number:
AG01A36O
Chemical Name:
5-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid dihydrochloride
CAS Number:
1432678-07-3
Molecular Formula:
C8H16Cl2N2O2
Molecular Weight:
243.1308
MDL Number:
MFCD23701782
IUPAC Name:
5-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C8H14N2O2.2ClH/c1-6-4-10-3-2-9(6)5-7(10)8(11)12;;/h6-7H,2-5H2,1H3,(H,11,12);2*1H
InChI Key:
LYOWFBNPXGTWAU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN2CCN1CC2C.Cl.Cl
Properties
Complexity:
207  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
243.128g/mol
Monoisotopic Mass:
242.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties