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Chemical ID: 5704161
Chemical ID:
5704161
Name [?]:
(1-butyl-4-pyridylidene)ammonium
SMILES [?]:
CCCCn1ccc(=[NH2+])cc1
InChi [?]:
InChI=1/C9H14N2/c1-2-3-6-11-7-4-9(10)5-8-11/h4-5,7-8,10H,2-3,6H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,3,7,10,4,6,11,8,9,5/E:(4,5)(7,8)/rA:11nCCCCNCCCN+CC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s8;s5d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N2+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.213 |
Area: | 336.833 |
Solvation: | -38.6338 |
Coulombic: | -6.24263 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.229 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.95 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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