ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7512707

Chemical ID:

7512707

Name [?]:

4-[(2-diethylaminoethyl-methyl-amino)methyl]phenol

SMILES [?]:

CCN(CC)CCN(C)Cc1ccc(cc1)O

InChi [?]:

InChI=1/C14H24N2O/c1-4-16(5-2)11-10-15(3)12-13-6-8-14(17)9-7-13/h6-9,17H,4-5,10-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,9,2,4,12,16,13,15,7,6,10,11,14,8,3,17/E:(1,2)(4,5)(6,7)(8,9)/rA:17cCCNCCCCNCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s8;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₄N₂O
All Atoms:	41
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	9.08228
Area:	460.814
Solvation:	-2.43808
Coulombic:	-27.2027

Bond Count [?]

All:	17
Single:	14
Double:	3
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.07
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value