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Chemical ID: 5832306
Chemical ID:
5832306
Name [?]:
2-(2-dimethylaminoethylaminomethyl)phenol
SMILES [?]:
CN(C)CCNCc1ccccc1O
InChi [?]:
InChI=1/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,12,5,4,7,8,13,6,2,14/E:(1,2)/rA:14nCNCCCNCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71072 |
Area: | 396.442 |
Solvation: | -2.20033 |
Coulombic: | -30.939 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.273 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.98 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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