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119904-90-4 | (S)-3-Aminoquinuclidine Dihydrochloride
CAS No: 119904-90-4 Catalog No: AG00327P MDL No:MFCD11111817
Product Description
Catalog Number:
AG00327P
Chemical Name:
(S)-3-Aminoquinuclidine Dihydrochloride
CAS Number:
119904-90-4
Molecular Formula:
C7H16Cl2N2
Molecular Weight:
199.1213
MDL Number:
MFCD11111817
IUPAC Name:
(3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
InChI:
InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m1../s1
InChI Key:
STZHBULOYDCZET-XCUBXKJBSA-N
SMILES:
N[C@@H]1CN2CCC1CC2.Cl.Cl
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.119g/mol
Monoisotopic Mass:
198.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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