Chemical ID: 5506289

c1ccc(cc1)C(CN(CCO)CCO)O
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

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Descriptor Annotations

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