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Home > Other Heterocycles > 176948-47-3
176948-47-3 | 1,3,7,8-Tetraazaspiro[4.4]nonane (9CI)
CAS No: 176948-47-3 Catalog No: AG002502 MDL No:
Product Description
Catalog Number:
AG002502
Chemical Name:
1,3,7,8-Tetraazaspiro[4.4]nonane (9CI)
CAS Number:
176948-47-3
Molecular Formula:
C5H12N4
Molecular Weight:
128.1756
IUPAC Name:
1,3,7,8-tetrazaspiro[4.4]nonane
InChI:
InChI=1S/C5H12N4/c1-5(7-4-6-1)2-8-9-3-5/h6-9H,1-4H2
InChI Key:
HWXBYUZLIZRWSQ-UHFFFAOYSA-N
SMILES:
N1CNC2(C1)CNNC2
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.106g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
128.179g/mol
Monoisotopic Mass:
128.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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