Chemical ID: 6405992

C[N+](C)(CC=C)c1ccccc1
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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