Chemical ID: 7236643

CC(C)n1ccn([cH+]1)C(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue