(Q63393463)

English

Phenyltrimethylammonium bromide

chemical compound

N,N,N-Trimethylanilinium bromide
Trimethylphenylammonium bromide

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

215.030961548 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄BrN

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canonical SMILES

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

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Identifiers

InChI

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

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InChIKey

GNMJFQWRASXXMS-UHFFFAOYSA-M

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CAS Registry Number

16056-11-4

1 reference

InChIKey

GNMJFQWRASXXMS-UHFFFAOYSA-M

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=16056-11-4

PubChem CID

27663

1 reference

matched by identifier from

InChIKey

GNMJFQWRASXXMS-UHFFFAOYSA-M

SureChEMBL ID

SCHEMBL238552

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GNMJFQWRASXXMS-UHFFFAOYSA-M

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP004525

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DSSTox substance ID

DTXSID60884868

1 reference

matched by identifier from

InChIKey

GNMJFQWRASXXMS-UHFFFAOYSA-M

DSSTOX compound identifier

DTXCID401024289

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EC number

240-202-8

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ECHA Substance Infocard ID

100.036.532

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.036.532

retrieved

29 December 2019

title

N,N,N-trimethylanilinium bromide (English)

quotation

CAS no.: 16056-11-4 (English)

(Q63393463)

Phenyltrimethylammonium bromide

Statements

Identifiers

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