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Chemical ID: 4964804

Chemical ID:

4964804

Name [?]:

2-diethylaminoethyl 1-phenylcyclohexane-1-carboxylate

SMILES [?]:

CCN(CC)CCOC(=O)C1(CCCCC1)c2ccccc2

InChi [?]:

InChI=1/C19H29NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,20,14,19,21,13,15,18,22,12,16,6,7,17,9,11,3,10,8/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:22nCCNCCCCOCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s11;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₉NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3243
Area:	512.131
Solvation:	-2.47898
Coulombic:	-26.679

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	303.439
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.76
LogP (Chemaxon):	4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value