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Home > Other Heterocycles > 2031260-91-8
2031260-91-8 | 1-phenyl-2-azabicyclo[2.1.1]hexane hydrochloride
CAS No: 2031260-91-8 Catalog No: AG01B79B MDL No:MFCD30345198
Product Description
Catalog Number:
AG01B79B
Chemical Name:
1-phenyl-2-azabicyclo[2.1.1]hexane hydrochloride
CAS Number:
2031260-91-8
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
MDL Number:
MFCD30345198
IUPAC Name:
1-phenyl-2-azabicyclo[2.1.1]hexane;hydrochloride
InChI:
InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-9(7-11)8-12-11;/h1-5,9,12H,6-8H2;1H
InChI Key:
AGEORNRVEBHAAF-UHFFFAOYSA-N
SMILES:
C1NC2(CC1C2)c1ccccc1.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.69g/mol
Monoisotopic Mass:
195.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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