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Chemical ID: 7119471
Chemical ID:
7119471
Name [?]:
1-(p-tolylmethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
Cc1ccc(cc1)C[NH+]2CC[NH2+]CC2
InChi [?]:
InChI=1/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,11,13,10,14,8,2,5,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCCN+CCN+CC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N2+2 |
All Atoms: | 34 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -100.785 |
Area: | 370.018 |
Solvation: | -110.036 |
Coulombic: | 119.016 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.301 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.61 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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