(4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL)ACETONITRILE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H19N
Molecular Weight	201.3074
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL)ACETONITRILE

Structure Search

SMILES

CC1=CC(=CC(C)=C1CC#N)C(C)(C)C

InChI

InChIKey=ZUXNULGHCOXCFL-UHFFFAOYSA-N

InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C14H19N
Molecular Weight	201.3074
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:32:02 GMT 2025` Edited by `admin` on `Wed Apr 02 12:32:02 GMT 2025`
Record UNII	AJ7BNY9HL7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL)ACETONITRILE

Systematic Name

English

XYLOMETAZOLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Preferred Name

English

4-TERT-BUTYL-2,6-DIMETHYLPHENYLACETONITRILE

Systematic Name

English

BENZENEACETONITRILE, 4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

1547137

Created by admin on Wed Apr 02 12:32:02 GMT 2025 , Edited by admin on Wed Apr 02 12:32:02 GMT 2025

PRIMARY

EPA CompTox

DTXSID5074680

Created by admin on Wed Apr 02 12:32:02 GMT 2025 , Edited by admin on Wed Apr 02 12:32:02 GMT 2025

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ECHA (EC/EINECS)

284-183-4

Created by admin on Wed Apr 02 12:32:02 GMT 2025 , Edited by admin on Wed Apr 02 12:32:02 GMT 2025

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CAS

84803-57-6

Created by admin on Wed Apr 02 12:32:02 GMT 2025 , Edited by admin on Wed Apr 02 12:32:02 GMT 2025

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FDA UNII

AJ7BNY9HL7

Created by admin on Wed Apr 02 12:32:02 GMT 2025 , Edited by admin on Wed Apr 02 12:32:02 GMT 2025

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Related Record Type Details


					X5S84033NZ

XYLOMETAZOLINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: