Basic information
- CAS
75113-57-4- Standard SMILES
CN(CCCCCC(=O)O)S(=O)(=O)c1ccccc1.NCCO- InChIKey
DUFAUUOAXDKLGV-UHFFFAOYSA-N- Molecular formula
- C15H26N2O5S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15624311
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(methyl(phenylsulfonyl)amino)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;6-[benzenesulfonyl(methyl)amino]hexanoic acid
Names & synonyms
EINECS 278-071-475113-57-4DTXSID3072799RefChem:146242DTXCID00477456-(Methyl(phenylsulphonyl)amino)hexanoic acid, compound with 2-aminoethanol (1:1)6-(N-Methylbenzenesulfonamido)hexanoic acid--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
75113-57-4- PubChem CID
- 173333
- DTXSID
DTXSID3072799- EC Number
- 278-071-4
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2-aminoethanol (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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