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Details

Stereochemistry ACHIRAL
Molecular Formula C16H30N2O3.Na.HO
Molecular Weight 338.4181
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1-(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-NONYL-1H-IMIDAZOLIUM HYDROXIDE

SMILES

[OH-].[Na+].CCCCCCCCCC1=NCC[N+]1(CCO)CC([O-])=O

InChI

InChIKey=IQAXFTQMKLVRBK-UHFFFAOYSA-M
InChI=1S/C16H30N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;;/h19H,2-14H2,1H3;;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula C16H30N2O3
Molecular Weight 298.421
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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 07:58:47 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:47 GMT 2023
Record UNII
73D1PW81SA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1-(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-NONYL-1H-IMIDAZOLIUM HYDROXIDE
Systematic Name English
2-IMIDAZOLINIUM, 1-(CARBOXYMETHYL)-1-(2-HYDROXYETHYL)-2-NONYL-, HYDROXIDE, MONOSODIUM SALT
Systematic Name English
1H-IMIDAZOLIUM, 1-(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-NONYL-, HYDROXIDE, SODIUM SALT (1:1:1)
Systematic Name English
Code System Code Type Description
CAS
14350-94-8
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
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FDA UNII
73D1PW81SA
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
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EPA CompTox
DTXSID60904752
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
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PUBCHEM
84369
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
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ECHA (EC/EINECS)
238-303-7
Created by admin on Sat Dec 16 07:58:47 GMT 2023 , Edited by admin on Sat Dec 16 07:58:47 GMT 2023
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