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Chemical ID: 6710331
Chemical ID:
6710331
Name [?]:
(4-dimethylaminophenyl)methylammonium
SMILES [?]:
CN(C)c1ccc(cc1)C[NH3+]
InChi [?]:
InChI=1/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,10,7,4,11,2/E:(1,2)(3,4)(5,6)/rA:11nCNCCCCCCCCN+/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N2+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.8829 |
Area: | 326.463 |
Solvation: | -40.0445 |
Coulombic: | 35.8056 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.229 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.35 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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