Chemical ID: 4955111

CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N
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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