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Chemical ID: 6405992
Chemical ID:
6405992
Name [?]:
allyl-dimethyl-phenyl-ammonium
SMILES [?]:
C[N+](C)(CC=C)c1ccccc1
InChi [?]:
InChI=1/C11H16N/c1-4-10-12(2,3)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3/q+1
InChi Info:
AuxInfo=1/0/N:6,1,3,5,10,9,11,8,12,4,7,2/E:(2,3)(6,7)(8,9)/CRV:12+1/rA:12nCN+CCCCCCCCCC/rB:s1;s2;s2;s4;d5;s2;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.5695 |
Area: | 335.735 |
Solvation: | -26.9629 |
Coulombic: | 20.7252 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.251 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.97 |
LogP (Chemaxon): | -1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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