PHENYLTRIMETHYLAMMONIUM IODIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H14N.I
Molecular Weight	263.1186
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENYLTRIMETHYLAMMONIUM IODIDE

Structure Search

SMILES

[I-].C[N+](C)(C)C1=CC=CC=C1

InChI

InChIKey=KKLAORVGAKUOPZ-UHFFFAOYSA-M

InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	HI
Molecular Weight	127.91241
Charge	0
Count

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

Molecular Formula	C9H14N
Molecular Weight	136.2142
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:20:32 GMT 2025` Edited by `admin` on `Mon Mar 31 21:20:32 GMT 2025`
Record UNII	4O888XQ7FP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-5047

Preferred Name

English

PHENYLTRIMETHYLAMMONIUM IODIDE

Systematic Name

English

N,N-DIMETHYLANILINE METHIODIDE

Common Name

English

N,N,N-TRIMETHYLBENZAMINIUM IODIDE (1:1)

Common Name

English

TRIMETHYLPHENYLAMMONIUM IODIDE

Systematic Name

English

PHENYLTRIMETHYLAMMONIUM IODIDE [MI]

Common Name

English

TRIMETHYLANILINIUM IODIDE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

202-630-3

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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CAS

98-04-4

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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EPA CompTox

DTXSID1021825

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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PUBCHEM

94135

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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FDA UNII

4O888XQ7FP

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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NSC

5047

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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MERCK INDEX

m8698

Created by admin on Mon Mar 31 21:20:32 GMT 2025 , Edited by admin on Mon Mar 31 21:20:32 GMT 2025

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Merck Index