N,N-DIBUTYL-N-METHYL-1-BUTANAMINIUM 4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BIS(PHENOLATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H9F6O2.C13H30N
Molecular Weight	535.6052
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N-DIBUTYL-N-METHYL-1-BUTANAMINIUM 4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BIS(PHENOLATE)

Structure Search

SMILES

CCCC[N+](C)(CCCC)CCCC.OC1=CC=C(C=C1)C(C2=CC=C([O-])C=C2)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=GMLULIOIUXDOJD-UHFFFAOYSA-M

InChI=1S/C15H10F6O2.C13H30N/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-5-8-11-14(4,12-9-6-2)13-10-7-3/h1-8,22-23H;5-13H2,1-4H3/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C15H9F6O2
Molecular Weight	335.2212
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H30N
Molecular Weight	200.384
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:09:54 GMT 2023`
Record UNII	3MEK9UMW19
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N-DIBUTYL-N-METHYL-1-BUTANAMINIUM 4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BIS(PHENOLATE)

Common Name

English

1-BUTANAMINIUM, N,N-DIBUTYL-N-METHYL-, SALT WITH 4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BIS(PHENOL) (1:1)

Common Name

English

BISPHENOL AF TRIBUTYLMETHYLAMMONIUM SALT

Common Name

English

1-BUTANAMINIUM, N,N-DIBUTYL-N-METHYL-, SALT WITH 4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)BIS(PHENOL)

Common Name

English

TRIBUTYLMETHYLAMMONIUM 4,4-(TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)DIPHENOL SALT

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID601335355

Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023

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CAS

475569-04-1

Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023

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FDA UNII

3MEK9UMW19

Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023

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PUBCHEM

72941826

Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023

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