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Chemical ID: 3964557
Chemical ID:
3964557
Name [?]:
1,1-dimethyl-4-phenyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[N+]1(CCN(CC1)c2ccccc2)C
InChi [?]:
InChI=1/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,11,10,12,9,13,4,6,3,7,8,5,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:14+1/rA:14nCN+CCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N2+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.9243 |
Area: | 357.649 |
Solvation: | -28.8655 |
Coulombic: | 16.7586 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.6 |
LogP (Chemaxon): | -2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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