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Chemical ID: 4583646

Chemical ID:

4583646

Name [?]:

1-[bis(2-hydroxyethyl)amino]-3-diphenylamino-propan-2-ol

SMILES [?]:

c1ccc(cc1)N(CC(CN(CCO)CCO)O)c2ccccc2

InChi [?]:

InChI=1/C19H26N2O3/c22-13-11-20(12-14-23)15-19(24)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,22-24H,11-16H2

InChi Info:

AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,12,15,13,16,10,8,4,19,9,11,7,14,17,18/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)(22,23)/rA:24cCCCCCCNCCCNCCOCCOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s11;s15;s16;s9;s7;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₆N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	6.97961
Area:	528.309
Solvation:	-6.2281
Coulombic:	-61.7378

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	330.421
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.56
LogP (Chemaxon):	2.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value