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Chemical ID: 5037540
Chemical ID:
5037540
Name [?]:
4-(ethyl-(2-hydroxyethyl)amino)benzenediazonium
SMILES [?]:
CCN(CCO)c1ccc(cc1)[N+]#N
InChi [?]:
InChI=1/C10H14N3O/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10/h3-6,14H,2,7-8H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,9,11,8,12,4,5,10,7,14,13,3,6/E:(3,4)(5,6)/CRV:12+1/rA:14cCCNCCOCCCCCCN+N/rB:s1;s2;s3;s4;s5;s3;s7;d8;s9;d10;d7s11;s10;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N3O+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -21.8309 |
Area: | 374.942 |
Solvation: | -31.2044 |
Coulombic: | 7.55997 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.33 |
LogP (Chemaxon): | 0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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