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Chemical ID: 7231990
Chemical ID:
7231990
Name [?]:
4-benzyl-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
c1ccc(cc1)CC2CC[NH2+]CC2
InChi [?]:
InChI=1/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,13,10,12,7,4,8,11/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCCCCN+CC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N+ |
All Atoms: | 31 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -25.5985 |
Area: | 350.227 |
Solvation: | -34.3542 |
Coulombic: | 32.4837 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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