Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2?,2??-nitrilotris[ethanol] (1:1)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19NO4S.C6H15NO3
Molecular Weight	434.547
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2?,2??-nitrilotris[ethanol] (1:1)

Structure Search

SMILES

OCCN(CCO)CCO.CN(CCCCCC(O)=O)S(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=ZRTNNBVVVUUNRM-UHFFFAOYSA-N

InChI=1S/C13H19NO4S.C6H15NO3/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;8-4-1-7(2-5-9)3-6-10/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
Charge	0
Count

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

Molecular Formula	C13H19NO4S
Molecular Weight	285.359
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 `Mon Mar 31 23:36:04 GMT 2025` Edited by `admin` on `Mon Mar 31 23:36:04 GMT 2025`
Record UNII	PJV5NW89JR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2?,2??-nitrilotris[ethanol] (1:1)

Systematic Name

English

Ethanol, 2,2?,2??-nitrilotri-, 6-(N-methylbenzenesulfonamido)hexanoate (salt)

Preferred Name

English

N-(Phenylsulfonyl)-N-methyl-?-aminocaproic acid triethanolammonium salt

Common Name

English

Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2?,2??-nitrilotris[ethanol]

Systematic Name

English

Hexanoic acid, 6-(N-methylbenzenesulfonamido)-, compd. with 2,2?,2??-nitrilotriethanol (1:1)

Common Name

English

Ethanol, 2,2?,2??-nitrilotris-, 6-[methyl(phenylsulfonyl)amino]hexanoate (salt)

Common Name

English

HOSTACOR KSI

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

248-107-3