ChemDB: Chemical Search
Download
Chemical ID: 7235901
Chemical ID:
7235901
Name [?]:
(2,6-diisopropylphenyl)ammonium
SMILES [?]:
CC(C)c1cccc(c1[NH3+])C(C)C
InChi [?]:
InChI=1/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,12,13,6,5,7,2,11,4,8,9,10/E:(1,2,3,4)(6,7)(8,9)(10,11)/rA:13nCCCCCCCCCN+CCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s8;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N+ |
All Atoms: | 33 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -27.8585 |
Area: | 363.08 |
Solvation: | -36.9355 |
Coulombic: | 40.0376 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.59 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|