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Chemical ID: 6525599

Chemical ID:

6525599

Name [?]:

diethyl-[3-(3-methylbenzoyl)aminopropyl]ammonium

SMILES [?]:

CC[NH+](CC)CCCNC(=O)c1cccc(c1)C

InChi [?]:

InChI=1/C15H24N2O/c1-4-17(5-2)11-7-10-16-15(18)14-9-6-8-13(3)12-14/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,5,18,2,4,14,7,15,13,8,6,17,16,12,10,9,3,11/E:(1,2)(4,5)/rA:18nCCN+CCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅N₂O+
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-19.2607
Area:	491.134
Solvation:	-31.5391
Coulombic:	6.40743

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	249.372
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.92
LogP (Chemaxon):	2.13

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