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Chemical ID: 6706133
Chemical ID:
6706133
Name [?]:
3-ethyl-3,7-diazoniaspiro[4.4]nonane
SMILES [?]:
CC[NH+]1CCC2(C1)CC[NH2+]C2
InChi [?]:
InChI=1/C9H18N2/c1-2-11-6-4-9(8-11)3-5-10-7-9/h10H,2-8H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,2,8,5,9,4,11,7,6,10,3/rA:11cCCN+CCCCCCN+C/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s9;s6s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20N2+2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -90.2241 |
Area: | 319.335 |
Solvation: | -98.2075 |
Coulombic: | 100.891 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 156.269 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 0.6 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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