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Chemical ID: 7273738

Chemical ID:

7273738

Name [?]:

1-(4-ethoxyphenoxy)-3-prop-2-ynylamino-propan-2-ol

SMILES [?]:

CCOc1ccc(cc1)OCC(CNCC#C)O

InChi [?]:

InChI=1/C14H19NO3/c1-3-9-15-10-12(16)11-18-14-7-5-13(6-8-14)17-4-2/h1,5-8,12,15-16H,4,9-11H2,2H3

InChi Info:

AuxInfo=1/0/N:17,1,16,2,5,9,6,8,15,13,11,12,4,7,14,18,3,10/E:(5,6)(7,8)/rA:18cCCOCCCCCCOCCCNCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;t16;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉NO₃
All Atoms:	37
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	6.10886
Area:	488.0
Solvation:	-6.09114
Coulombic:	-41.0934

Bond Count [?]

All:	18
Single:	14
Double:	3
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	249.306
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.48
LogP (Chemaxon):	1.4

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