2-Furanmethanaminium, N,N-dimethyl-N-phenyl-, iodide (1:1)

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16NO.I
Molecular Weight	329.1767
Optical Activity	NONE
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Furanmethanaminium, N,N-dimethyl-N-phenyl-, iodide (1:1)

Structure Search

SMILES

[I-].C[N+](C)(CC1=CC=CO1)C2=CC=CC=C2

InChI

InChIKey=AOCGINIZSCBYEV-UHFFFAOYSA-M

InChI=1S/C13H16NO.HI/c1-14(2,11-13-9-6-10-15-13)12-7-4-3-5-8-12;/h3-10H,11H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	I
Molecular Weight	126.90447
Charge	-1
Count

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

Molecular Formula	C13H16NO
Molecular Weight	202.2722
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:03:21 GMT 2025` Edited by `admin` on `Wed Apr 02 14:03:21 GMT 2025`
Record UNII	D6TRM8PWL3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-404019

Preferred Name

English

2-Furanmethanaminium, N,N-dimethyl-N-phenyl-, iodide (1:1)

Systematic Name

English

Ammonium, furfuryldimethylphenyl-, iodide

Systematic Name

English

Furfuryldimethylphenylammonium iodide

Systematic Name

English

Code System Code Type Description

NSC

404019

Created by admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025

PRIMARY

EPA CompTox

DTXSID80196576

Created by admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025

PRIMARY

PUBCHEM

24201127

Created by admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025

PRIMARY

FDA UNII

D6TRM8PWL3

Created by admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025

PRIMARY

CAS

4565-01-9

Created by admin on Wed Apr 02 14:03:21 GMT 2025 , Edited by admin on Wed Apr 02 14:03:21 GMT 2025

PRIMARY

Related Record Type Details


					FZ77RJ6K4W

N,N-Dimethyl-N-phenyl-2-furanmethanaminium

PARENT -> SALT/SOLVATE

Amount: