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Chemical ID: 4683375

Chemical ID:

4683375

Name [?]:

isopropyl (2,4-dimethylphenyl)methylaminoformate

SMILES [?]:

Cc1ccc(c(c1)C)CNC(=O)OC(C)C

InChi [?]:

InChI=1/C13H19NO2/c1-9(2)16-13(15)14-8-12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:15,16,1,8,3,4,7,9,14,2,6,5,11,10,12,13/E:(1,2)/rA:16nCCCCCCCCCNCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉NO₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	9.30919
Area:	432.79
Solvation:	-1.51057
Coulombic:	-35.1738

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	221.296
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.35
LogP (Chemaxon):	3.31

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value