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Chemical ID: 5506289
Chemical ID:
5506289
Name [?]:
2-[bis(2-hydroxyethyl)amino]-1-phenyl-ethanol
SMILES [?]:
c1ccc(cc1)C(CN(CCO)CCO)O
InChi [?]:
InChI=1/C12H19NO3/c14-8-6-13(7-9-15)10-12(16)11-4-2-1-3-5-11/h1-5,12,14-16H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,13,11,14,8,4,7,9,12,15,16/E:(2,3)(4,5)(6,7)(8,9)(14,15)/rA:16cCCCCCCCCNCCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9;s13;s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.80606 |
Area: | 406.203 |
Solvation: | -5.34902 |
Coulombic: | -55.4728 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.284 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.25 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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