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Chemical ID: 5247960
Chemical ID:
5247960
Name [?]:
4-[(2-amino-4-dimethylamino-phenyl)methyl]-N',N',6-trimethyl-benzene-1,3-diamine
SMILES [?]:
Cc1cc(c(cc1N)N(C)C)Cc2ccc(cc2N)N(C)C
InChi [?]:
InChI=1/C18H26N4/c1-12-8-14(18(22(4)5)11-16(12)19)9-13-6-7-15(21(2)3)10-17(13)20/h6-8,10-11H,9,19-20H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,22,10,11,14,15,3,12,17,6,2,13,4,16,7,18,5,8,19,20,9/E:(2,3)(4,5)/rA:22nCCCCCCCNNCCCCCCCCCNNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s9;s4;s12;s13;d14;s15;d16;d13s17;s18;s16;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.146 |
Area: | 499.481 |
Solvation: | -2.34102 |
Coulombic: | -45.6088 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.426 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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