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Chemical ID: 4955111
Chemical ID:
4955111
Name [?]:
4-(benzyl-ethyl-amino)benzenediazonium
SMILES [?]:
CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N
InChi [?]:
InChI=1/C15H16N3/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15/h3-11H,2,12H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,13,15,12,16,4,5,14,11,18,17,3/E:(4,5)(6,7)(8,9)(10,11)/CRV:17+1/rA:18cCCNCCCCCCCCCCCCCN+N/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;d12;s13;d14;d11s15;s14;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N3+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -20.8764 |
Area: | 438.561 |
Solvation: | -31.8405 |
Coulombic: | 23.4199 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.308 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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