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Chemical ID: 4643379

Chemical ID:

4643379

Name [?]:

4-benzhydryloxy-N,N-dimethyl-but-2-yn-1-amine

SMILES [?]:

CN(C)CC#CCOC(c1ccccc1)c2ccccc2

InChi [?]:

InChI=1/C19H21NO/c1-20(2)15-9-10-16-21-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19H,15-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,13,19,12,14,18,20,5,6,11,15,17,21,4,7,10,16,9,2,8/E:(1,2)(3,4)(5,6,7,8)(11,12,13,14)(17,18)/rA:21nCNCCCCCOCCCCCCCCCCCCC/rB:s1;s2;s2;s4;t5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.95967
Area:	527.366
Solvation:	-3.22448
Coulombic:	-17.7697

Bond Count [?]

All:	22
Single:	15
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	279.376
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.49
LogP (Chemaxon):	3.92

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