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Chemical ID: 7197999
Chemical ID:
7197999
Name [?]:
phenethyl-(1H-pyridin-2-ylmethyl)ammonium
SMILES [?]:
c1ccc(cc1)CC[NH2+]Cc2cccc[nH+]2
InChi [?]:
InChI=1/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2/p+2
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,7,15,8,10,4,11,9,16/E:(2,3)(6,7)/rA:16nCCCCCCCCN+CCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2+2 |
All Atoms: | 34 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -99.4409 |
Area: | 427.534 |
Solvation: | -110.129 |
Coulombic: | 91.6591 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.306 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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