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Home > Other Heterocycles > 857334-81-7
857334-81-7 | 1,4-Diazabicyclo[3.2.1]octane, dihydrochloride, (1R,5R)-
CAS No: 857334-81-7 Catalog No: AG00IDRD MDL No:MFCD23704632
Product Description
Catalog Number:
AG00IDRD
Chemical Name:
1,4-Diazabicyclo[3.2.1]octane, dihydrochloride, (1R,5R)-
CAS Number:
857334-81-7
Molecular Formula:
C6H14Cl2N2
Molecular Weight:
185.0948
MDL Number:
MFCD23704632
IUPAC Name:
(5R)-1,4-diazabicyclo[3.2.1]octane;dihydrochloride
InChI:
InChI=1S/C6H12N2.2ClH/c1-3-8-4-2-7-6(1)5-8;;/h6-7H,1-5H2;2*1H/t6-;;/m1../s1
InChI Key:
CTBNEKSAJTWOFM-QYCVXMPOSA-N
SMILES:
C1N[C@@H]2CCN(C1)C2.Cl.Cl
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.092g/mol
Monoisotopic Mass:
184.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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