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Chemical ID: 4947588
Chemical ID:
4947588
Name [?]:
N'-acridin-9-yl-N-ethyl-ethane-1,2-diamine
SMILES [?]:
CCNCCNc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C17H19N3/c1-2-18-11-12-19-17-13-7-3-5-9-15(13)20-16-10-6-4-8-14(16)17/h3-10,18H,2,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,10,18,11,19,9,17,12,20,4,5,8,16,13,15,7,3,6,14/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:20nCCNCCNCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0588 |
Area: | 471.643 |
Solvation: | -1.73229 |
Coulombic: | -28.2337 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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