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Chemical ID: 3968244

Chemical ID:

3968244

Name [?]:

4-amino-N-(2-diethylaminoethyl)benzamide

SMILES [?]:

CCN(CC)CCNC(=O)c1ccc(cc1)N

InChi [?]:

InChI=1/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,12,16,13,15,7,6,11,14,9,17,8,3,10/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCNCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₁N₃O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	9.31306
Area:	462.858
Solvation:	-2.25839
Coulombic:	-43.8261

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	235.325
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	1.31
LogP (Chemaxon):	0.83

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