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Chemical ID: 6532216
Chemical ID:
6532216
Name [?]:
6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
SMILES [?]:
CC1(N=C(N=C(N1c2ccccc2)N)N)C
InChi [?]:
InChI=1/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,11,10,12,9,13,8,4,6,2,15,14,5,3,7/E:(1,2)(4,5)(6,7)/rA:16nCCNCNCNCCCCCCNNC/rB:s1;s2;d3;s4;d5;s2s6;s7;s8;d9;s10;d11;d8s12;s6;s4;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02905 |
Area: | 384.04 |
Solvation: | -1.57196 |
Coulombic: | -53.1669 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 217.27 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.51 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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