AMMONIUM ISOBUTYL PHTHALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O4.H3N
Molecular Weight	239.2677
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMMONIUM ISOBUTYL PHTHALATE

Structure Search

SMILES

N.CC(C)COC(=O)C1=CC=CC=C1C(O)=O

InChI

InChIKey=FOMDNQDHJPVRSO-UHFFFAOYSA-N

InChI=1S/C12H14O4.H3N/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);1H3

HIDE SMILES / InChI

Molecular Formula	C12H14O4
Molecular Weight	222.2372
Charge	0
Count

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

Molecular Formula	H3N
Molecular Weight	17.0305
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 `Sat Dec 16 17:26:40 GMT 2023` Edited by `admin` on `Sat Dec 16 17:26:40 GMT 2023`
Record UNII	9O5V9B66G9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMMONIUM ISOBUTYL PHTHALATE

Common Name

English

PHTHALIC ACID, MONOISOBUTYL ESTER, AMMONIUM SALT

Common Name

English

MONO-ISOBUTYL PHTHALATE AMMONIUM SALT

Common Name

English

AZANIUM,2-(2-METHYLPROPOXYCARBONYL) BENZOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80144471

Created by admin on Sat Dec 16 17:26:41 GMT 2023 , Edited by admin on Sat Dec 16 17:26:41 GMT 2023

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PUBCHEM

3064109

Created by admin on Sat Dec 16 17:26:41 GMT 2023 , Edited by admin on Sat Dec 16 17:26:41 GMT 2023

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CAS

101976-14-1

Created by admin on Sat Dec 16 17:26:41 GMT 2023 , Edited by admin on Sat Dec 16 17:26:41 GMT 2023

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FDA UNII

9O5V9B66G9

Created by admin on Sat Dec 16 17:26:41 GMT 2023 , Edited by admin on Sat Dec 16 17:26:41 GMT 2023

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