Basic information
- CAS
21865-17-8- Standard SMILES
C[N+](C)(C)CCCS(=O)(=O)[O-]- InChIKey
WFJHXXPYPMNRPK-UHFFFAOYSA-N- Molecular formula
- C6H15NO3S
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.07726451
Names & identifiers
- Preferred name
- 3-(Trimethylammonio)propane-1-sulfonate
- IUPAC
- 3-(trimethylazaniumyl)propane-1-sulfonate
- English name
- 3-(TRIMETHYLAMMONIUM)PROPANESULFONATE, INNER SALT
- Molecular formula
- C6H15NO3S
- Molecular weight
- 181.2532
Names & synonyms
3-(trimethylammonio)propane-1-sulfonateRefChem:496458872-141-321865-17-83-(trimethylazaniumyl)propane-1-sulfonateAMMONIUM, TRIMETHYL(3-SULFOPROPYL)-, HYDROXIDE, inner salt3-(TRIMETHYLAMMONIUM)PROPANESULFONATE, INNER SALT3-Trimethylammoniumpropanesulfonate inner saltCHEMBL32343701-Propanaminium, N,N,N-trimethyl-3-sulfo-, hydroxide, inner salt7CBL522F69NSC102619
Show more names
NSC-102619(3-Trimethyl)ammoniumpropanesulfonate inner saltCholinesulfonateNSC 102619BRN 4133267SCHEMBL985193UNII-7CBL522F69trimethyl(3-sulfopropyl)ammonium
Database identifiers
- CAS
21865-17-8- PubChem CID
- 30837
- DTXSID
DTXSID50176264- ChEMBL
CHEMBL3234370- UNII
- 7CBL522F69
- EC Number
- 872-141-3
- Nikkaji
- J138.124E
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- FDA UNII
- 7 CBL522F69 · 7CBL522F69
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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