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Chemical ID: 4733048
Chemical ID:
4733048
Name [?]:
2,6-dimethyl-4-tert-butyl-aniline
SMILES [?]:
Cc1cc(cc(c1N)C)C(C)(C)C
InChi [?]:
InChI=1/C12H19N/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,11,12,13,3,5,2,6,4,7,10,8/E:(1,2)(3,4,5)(6,7)(8,9)/rA:13nCCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.191 |
Area: | 358.305 |
Solvation: | -0.766628 |
Coulombic: | -18.2211 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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