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Chemical ID: 6714336
Chemical ID:
6714336
Name [?]:
diethyl-(1H-pyridin-2-ylmethyl)ammonium
SMILES [?]:
CC[NH+](CC)Cc1cccc[nH+]1
InChi [?]:
InChI=1/C10H16N2/c1-3-12(4-2)9-10-7-5-6-8-11-10/h5-8H,3-4,9H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,10,8,11,6,7,12,3/E:(1,2)(3,4)/rA:12nCCN+CCCCCCCCN+/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2+2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -94.3022 |
Area: | 348.225 |
Solvation: | -103.008 |
Coulombic: | 84.5589 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 166.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.46 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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