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Chemical ID: 6658490
Chemical ID:
6658490
Name [?]:
(4-diethylamino-2-methyl-phenyl)-imino-ammonium
SMILES [?]:
CCN(CC)c1ccc(c(c1)C)[NH+]=N
InChi [?]:
InChI=1/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6-8,12H,4-5H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,7,8,11,10,6,9,14,13,3/E:(1,2)(4,5)/rA:14nCCNCCCCCCCCCN+N/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;w13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N3+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.9559 |
Area: | 383.472 |
Solvation: | -34.5427 |
Coulombic: | 5.39393 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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