Home Other Building Blocks 3-azatricyclo[4.2.1.0,2,5]nonane

3-azatricyclo[4.2.1.0,2,5]nonane

CAS No.:
3927-46-6
Catalog Number:
AG01AJG9
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
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Product Description
Catalog Number:
AG01AJG9
Chemical Name:
3-azatricyclo[4.2.1.0,2,5]nonane
CAS Number:
3927-46-6
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD19227268
IUPAC Name:
3-azatricyclo[4.2.1.02,5]nonane
InChI:
InChI=1S/C8H13N/c1-2-6-3-5(1)7-4-9-8(6)7/h5-9H,1-4H2
InChI Key:
SMYDSCCMFGGJQF-UHFFFAOYSA-N
SMILES:
C1CC2CC1C1C2CN1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties