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Chemical ID: 7236643
Chemical ID:
7236643
Name [?]:
1,3-diisopropylimidazole
SMILES [?]:
CC(C)n1ccn([cH+]1)C(C)C
InChi [?]:
InChI=1/C9H17N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-9H,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,10,11,5,6,8,2,9,4,7/E:(1,2,3,4)(5,6)(8,9)(10,11)/CRV:7+1/rA:11nCCCNCCNC+CCC/rB:s1;s2;s2;s4;d5;s6;s4s7;s7;s9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17N2+ |
All Atoms: | 28 |
Heavy Atoms: | 11 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -22.9491 |
Area: | 332.938 |
Solvation: | -31.2726 |
Coulombic: | 16.4216 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.15 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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