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Chemical ID: 6421025
Chemical ID:
6421025
Name [?]:
4-(4-aminophenyl)azo-N,N,3-trimethyl-aniline
SMILES [?]:
Cc1cc(ccc1N=Nc2ccc(cc2)N)N(C)C
InChi [?]:
InChI=1/C15H18N4/c1-11-10-14(19(2)3)8-9-15(11)18-17-13-6-4-12(16)5-7-13/h4-10H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,12,14,11,15,5,6,3,2,13,10,4,7,16,9,8,17/E:(2,3)(4,5)(6,7)/rA:19nCCCCCCCNNCCCCCCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9605 |
Area: | 442.113 |
Solvation: | -2.09233 |
Coulombic: | -27.0662 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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