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Chemical ID: 5251973
Chemical ID:
5251973
Name [?]:
4-[bis(2-hydroxyethyl)amino]phenol
SMILES [?]:
c1cc(ccc1N(CCO)CCO)O
InChi [?]:
InChI=1/C10H15NO3/c12-7-5-11(6-8-13)9-1-3-10(14)4-2-9/h1-4,12-14H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,11,9,12,6,3,7,10,13,14/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:14nCCCCCCNCCOCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.81608 |
Area: | 373.345 |
Solvation: | -4.51756 |
Coulombic: | -54.8706 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.231 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.41 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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