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Chemical ID: 4735504
Chemical ID:
4735504
Name [?]:
N,N-dimethyl-4-tert-butyl-aniline
SMILES [?]:
CC(C)(C)c1ccc(cc1)N(C)C
InChi [?]:
InChI=1/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,6,10,7,9,5,8,2,11/E:(1,2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00326 |
Area: | 361.943 |
Solvation: | -1.04532 |
Coulombic: | -8.27315 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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