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Chemical ID: 6661874

Chemical ID:

6661874

Name [?]:

N,N-dimethyl-4-[(3-nitrophenyl)aminomethyl]aniline

SMILES [?]:

CN(C)c1ccc(cc1)CNc2cccc(c2)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H17N3O2/c1-17(2)14-8-6-12(7-9-14)11-16-13-4-3-5-15(10-13)18(19)20/h3-10,16H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,14,13,15,6,8,5,9,17,10,7,12,4,16,11,2,18,19,20/E:(1,2)(6,7)(8,9)(19,20)/CRV:18.5/rA:20nCNCCCCCCCCNCCCCCCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇N₃O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	5.06817
Area:	488.251
Solvation:	-7.13811
Coulombic:	-30.9179

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	271.315
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.36
LogP (Chemaxon):	3.62

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