Chemical ID: 5152263

c1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
Chemical ID:
5152263
Name [?]:
1-[bis(2-hydroxyethyl)amino]-3-(2-chlorophenoxy)-propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
InChi [?]:
InChI=1/C13H20ClNO4/c14-12-3-1-2-4-13(12)19-10-11(18)9-15(5-7-16)6-8-17/h1-4,11,16-18H,5-10H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,12,15,13,16,10,8,9,4,5,19,11,14,17,18,7/E:(5,6)(7,8)(16,17)/rA:19cCCCCCCOCCCNCCOCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s11;s15;s16;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20ClNO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:4.70596
Area:489.646
Solvation:-7.53518
Coulombic:-61.6943
Bond Count [?]
All:19
Single:16
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.755
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.32
LogP (Chemaxon):1.03

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