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Chemical ID: 3967304

Chemical ID:

3967304

Name [?]:

4-(ethylaminomethyl)-2,6-ditert-butyl-phenol

SMILES [?]:

CCNCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

InChi [?]:

InChI=1/C17H29NO/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7/h9-10,18-19H,8,11H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,12,13,14,17,18,19,2,10,6,4,5,9,7,8,11,16,3,15/E:(2,3,4,5,6,7)(9,10)(13,14)(16,17)/rA:19nCCNCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s11;s11;s8;s7;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₉NO
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3682
Area:	478.491
Solvation:	-1.59406
Coulombic:	-27.5371

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.418
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.76
LogP (Chemaxon):	4.56

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