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Home > Other Heterocycles > 176-05-6
176-05-6 | 1,2,7-Triazaspiro[4.4]nonane (8CI,9CI)
CAS No: 176-05-6 Catalog No: AG0021CJ MDL No:
Product Description
Catalog Number:
AG0021CJ
Chemical Name:
1,2,7-Triazaspiro[4.4]nonane (8CI,9CI)
CAS Number:
176-05-6
Molecular Formula:
C6H13N3
Molecular Weight:
127.1875
IUPAC Name:
1,2,7-triazaspiro[4.4]nonane
InChI:
InChI=1S/C6H13N3/c1-3-7-5-6(1)2-4-8-9-6/h7-9H,1-5H2
InChI Key:
QQEMJQVIVOJTGT-UHFFFAOYSA-N
SMILES:
C1NCC2(C1)NNCC2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.111g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
127.191g/mol
Monoisotopic Mass:
127.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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