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Chemical ID: 4914544
Chemical ID:
4914544
Name [?]:
2-[[3-[bis(2-hydroxyethyl)amino]phenyl]-(2-hydroxyethyl)amino]ethanol
SMILES [?]:
c1cc(cc(c1)N(CCO)CCO)N(CCO)CCO
InChi [?]:
InChI=1/C14H24N2O4/c17-8-4-15(5-9-18)13-2-1-3-14(12-13)16(6-10-19)7-11-20/h1-3,12,17-20H,4-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,18,8,11,16,19,9,12,4,3,5,14,7,17,20,10,13/E:(2,3)(4,5,6,7)(8,9,10,11)(13,14)(15,16)(17,18,19,20)/rA:20nCCCCCCNCCOCCONCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s7;s11;s12;s3;s14;s15;s16;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.47172 |
Area: | 489.703 |
Solvation: | -6.77085 |
Coulombic: | -77.5636 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 284.351 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.4 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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