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Home > Other Heterocycles > 2060063-78-5
2060063-78-5 | 1-(4-methylphenyl)-2-azabicyclo[2.1.1]hexane
CAS No: 2060063-78-5 Catalog No: AG01BW6N MDL No:MFCD30476833
Product Description
Catalog Number:
AG01BW6N
Chemical Name:
1-(4-methylphenyl)-2-azabicyclo[2.1.1]hexane
CAS Number:
2060063-78-5
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD30476833
IUPAC Name:
1-(4-methylphenyl)-2-azabicyclo[2.1.1]hexane
InChI:
InChI=1S/C12H15N/c1-9-2-4-11(5-3-9)12-6-10(7-12)8-13-12/h2-5,10,13H,6-8H2,1H3
InChI Key:
URTZOFLEYPYRPS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C12NCC(C1)C2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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