ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4679453

Chemical ID:

4679453

Name [?]:

4-(2-diethylaminoethyl)-N,N-dimethyl-aniline

SMILES [?]:

CCN(CC)CCc1ccc(cc1)N(C)C

InChi [?]:

InChI=1/C14H24N2/c1-5-16(6-2)12-11-13-7-9-14(10-8-13)15(3)4/h7-10H,5-6,11-12H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,15,16,2,4,9,13,10,12,7,6,8,11,14,3/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:16nCCNCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₄N₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	9.5673
Area:	443.969
Solvation:	-1.53191
Coulombic:	-12.6013

Bond Count [?]

All:	16
Single:	13
Double:	3
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	220.354
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.99
LogP (Chemaxon):	3.13

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