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Chemical ID: 4497400
Chemical ID:
4497400
Name [?]:
2-(benzo[1,3]dioxol-5-ylmethyl-methyl-amino)ethanol
SMILES [?]:
CN(CCO)Cc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H15NO3/c1-12(4-5-13)7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,13H,4-5,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,3,4,12,6,14,7,10,11,2,5,15,13/rA:15cCNCCOCCCCCCCOCO/rB:s1;s2;s3;s4;s2;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.19827 |
Area: | 385.403 |
Solvation: | -4.43681 |
Coulombic: | -37.3534 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.82 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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