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Home > Other Heterocycles > 1822801-03-5
1822801-03-5 | 3-(1H-PYRAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE
CAS No: 1822801-03-5 Catalog No: AG01AS6W MDL No:MFCD28166070
Product Description
Catalog Number:
AG01AS6W
Chemical Name:
3-(1H-PYRAZOL-1-YL)-8-AZABICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE
CAS Number:
1822801-03-5
Molecular Formula:
C10H17Cl2N3
Molecular Weight:
250.1681
MDL Number:
MFCD28166070
IUPAC Name:
3-pyrazol-1-yl-8-azabicyclo[3.2.1]octane;dihydrochloride
InChI:
InChI=1S/C10H15N3.2ClH/c1-4-11-13(5-1)10-6-8-2-3-9(7-10)12-8;;/h1,4-5,8-10,12H,2-3,6-7H2;2*1H
InChI Key:
MPZJELYGGMCZMR-UHFFFAOYSA-N
SMILES:
c1cnn(c1)C1CC2CCC(C1)N2.Cl.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.167g/mol
Monoisotopic Mass:
249.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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