Basic information
- CAS
193148-15-1- Standard SMILES
NCCCCS(=O)(=O)CCO- InChIKey
SVNJKHCDMNQIBG-UHFFFAOYSA-N- Molecular formula
- C6H15NO3S
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.07726451
Names & identifiers
- Preferred name
- 2-(4-Aminobutanesulfonyl)ethan-1-ol
- IUPAC
- 2-(4-aminobutylsulfonyl)ethanol
Names & synonyms
2-(4-aminobutanesulfonyl)ethan-1-ol193148-15-1RefChem:456681888-605-3SCHEMBL98165882-(4-aminobutylsulfonyl)ethanolEN300-7697107
Database identifiers
- CAS
193148-15-1- PubChem CID
- 20036769
- EC Number
- 888-605-3
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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