Chemical ID: 7119471

Cc1ccc(cc1)C[NH+]2CC[NH2+]CC2
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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