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Chemical ID: 7235694
Chemical ID:
7235694
Name [?]:
benzyl-(1-methyl-3-phenyl-propyl)-ammonium
SMILES [?]:
CC(CCc1ccccc1)[NH2+]Cc2ccccc2
InChi [?]:
InChI=1/C17H21N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,16,7,9,15,17,6,10,14,18,3,4,12,2,5,13,11/E:(4,5)(6,7)(8,9)(10,11)/rA:18cCCCCCCCCCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N+ |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -21.0552 |
Area: | 470.692 |
Solvation: | -32.8225 |
Coulombic: | 30.9431 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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