Basic information
- Standard SMILES
O=S(=O)(O)CCCN1CCN(CCO)CC1- InChIKey
OWXMKDGYPWMGEB-UHFFFAOYSA-N- Molecular formula
- C9H20N2O4S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.11437812
Overview
HEPPS is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.
Names & identifiers
- Preferred name
- Hepps
- IUPAC
- 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
Names & synonyms
Hepps16052-06-53-(4-(2-Hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acid1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID3-[4-(2-Hydroxyethyl)-1-piperazinyl]propanesulfonic AcidN-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid)4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acidEINECS 240-198-88JN5PQW99CBRN 3957385N-2-Hydroxyethylpiperazine-N'-3-propanesulfonic acid
Show more names
DTXSID3066003CHEBI:42298N-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acidN-2-Hydroxyethylpiperazine-N-3-propanesulfonic acid4-(2-Hydroxyethyl)piperazine-1-propane-3-sulfonic acid3-(4-(2-Hydroxyethyl)-1-piperazinyl)propanesulfonic acidRefChem:145584DTXCID5035169
Database identifiers
- CAS
16052-06-5- PubChem CID
- 85255
- DTXSID
DTXSID3066003- ChEBI
CHEBI:42298- UNII
- 8JN5PQW99C
- EC Number
- 240-198-8
- Nikkaji
- J219.951C
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Piperazines
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 94.2% (65 of 69) of all reports.
Not Classified
Aggregated GHS information provided per 69 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-
Status: Active Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32799
1-Piperazinepropanesulphonic acid, 4-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryOral LD50 (quail) > 316 mg/kg; [RTECS] An eye irritant; [Sigma-Aldrich MSDS] See Piperazine and salts. See HEPES.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-: ACTIVE
Related reactions
4 records
Linked notes
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