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Home > Imidazoles > 2044744-70-7
2044744-70-7 | 1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane dihydrochloride
CAS No: 2044744-70-7 Catalog No: AG01BV6R MDL No:MFCD30476289
Product Description
Catalog Number:
AG01BV6R
Chemical Name:
1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane dihydrochloride
CAS Number:
2044744-70-7
Molecular Formula:
C8H13Cl2N3
Molecular Weight:
222.1149
MDL Number:
MFCD30476289
IUPAC Name:
1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane;dihydrochloride
InChI:
InChI=1S/C8H11N3.2ClH/c1-2-10-7(9-1)8-3-6(4-8)5-11-8;;/h1-2,6,11H,3-5H2,(H,9,10);2*1H
InChI Key:
ZNDULEHRFISGMB-UHFFFAOYSA-N
SMILES:
c1cnc([nH]1)C12NCC(C1)C2.Cl.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
222.113g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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