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122823-89-6

122823-89-6 | 8,9-Diazapentacyclo[5.4.0.02,6.03,11.04,10]undecane (9CI)

CAS No: 122823-89-6 Catalog No: AG000JJR MDL No:

Product Description

Catalog Number:
AG000JJR
Chemical Name:
8,9-Diazapentacyclo[5.4.0.02,6.03,11.04,10]undecane (9CI)
CAS Number:
122823-89-6
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
IUPAC Name:
8,9-diazapentacyclo[5.4.0.02,6.03,11.04,10]undecane
InChI:
InChI=1S/C9H12N2/c1-2-4-5-3(1)9-7(5)6(4)8(2)10-11-9/h2-11H,1H2
InChI Key:
XNTVQVWVJCXVLK-UHFFFAOYSA-N
SMILES:
N1NC2C3CC4C1C1C2C3C41

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
8  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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