Chemical ID: 7235901

CC(C)c1cccc(c1[NH3+])C(C)C
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

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Experimental Annotations

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Descriptor Annotations

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