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Chemical ID: 7146169
Chemical ID:
7146169
Name [?]:
N-(2,4-dimethylphenyl)pyridine-2,5-diamine
SMILES [?]:
Cc1ccc(c(c1)C)Nc2ccc(cn2)N
InChi [?]:
InChI=1/C13H15N3/c1-9-3-5-12(10(2)7-9)16-13-6-4-11(14)8-15-13/h3-8H,14H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,3,12,4,11,7,14,2,6,13,5,10,16,15,9/rA:16nCCCCCCCCNCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3 |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18984 |
Area: | 398.326 |
Solvation: | -1.76831 |
Coulombic: | -33.31 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 213.278 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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