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Chemical ID: 6733253
Chemical ID:
6733253
Name [?]:
2-[4-(2,3-dimethylphenyl)-2,3,5,6-tetrahydropyrazin-1-yl]ethylammonium
SMILES [?]:
Cc1cccc(c1C)N2CC[NH+](CC2)CC[NH3+]
InChi [?]:
InChI=1/C14H23N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,6-11,15H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,16,15,11,13,10,14,2,7,6,17,12,9/E:(8,9)(10,11)/rA:17nCCCCCCCCNCCN+CCCCN+/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25N3+2 |
All Atoms: | 42 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -101.076 |
Area: | 431.534 |
Solvation: | -111.864 |
Coulombic: | 111.884 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.76 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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