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Chemical ID: 7134520
Chemical ID:
7134520
Name [?]:
1-(2,5-dimethoxyphenyl)ethylammonium
SMILES [?]:
CC(c1cc(ccc1OC)OC)[NH3+]
InChi [?]:
InChI=1/C10H15NO2/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-7H,11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,12,10,6,7,4,2,5,3,8,13,11,9/rA:13cCCCCCCCCOCOCN+/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s5;s11;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16NO2+ |
All Atoms: | 29 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -30.2319 |
Area: | 351.911 |
Solvation: | -39.0297 |
Coulombic: | 26.9969 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.24 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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