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Chemical ID: 6691746

Chemical ID:

6691746

Name [?]:

9H-fluoren-9-ylmethyl 2-(2-aminoethoxy)ethylaminoformate

SMILES [?]:

c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCOCCN

InChi [?]:

InChI=1/C19H22N2O3/c20-9-11-23-12-10-21-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13,20H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,9,2,10,6,8,3,11,23,19,22,20,14,5,7,4,12,13,16,24,18,17,21,15/E:(1,2)(3,4)(5,6)(7,8)(14,15)(16,17)/rA:24nCCCCCCCCCCCCCCOCONCCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.97812
Area:	567.353
Solvation:	-4.20571
Coulombic:	-55.3957

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	326.39
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.19
LogP (Chemaxon):	1.85

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