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Home > Other Heterocycles > 70110-45-1
70110-45-1 | 3-Benzyl-3-azabicyclo[3.1.0]hexane
CAS No: 70110-45-1 Catalog No: AG006C9V MDL No:MFCD11226945
Product Description
Catalog Number:
AG006C9V
Chemical Name:
3-Benzyl-3-azabicyclo[3.1.0]hexane
CAS Number:
70110-45-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD11226945
IUPAC Name:
3-benzyl-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H15N/c1-2-4-10(5-3-1)7-13-8-11-6-12(11)9-13/h1-5,11-12H,6-9H2
InChI Key:
OQEHGZOASMRNJW-UHFFFAOYSA-N
SMILES:
C1C2C1CN(C2)Cc1ccccc1
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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