3-Hydroxy-1-propanesulfonic acid sodium salt
- Nom de l'IUPAC：sodium;3-hydroxypropane-1-sulfonate
- Numéro CAS: 3542-44-7
- Masse moléculaire：162.13
1. nom et identifiant
- 1.1 Nom du produit
- 3-Hydroxy-1-propanesulfonic acid sodium salt
- 1.2 Synonymes
1-HYDROXYPROPANE-3-SULFONIC ACID SODIUM SALT 1-Propanesulfonic acid, 3-hydroxy-, sodium salt (1:1) 1-Propanesulfonic acid,3-hydroxy-, sodium salt (1:1) 3-HYDROXY-1-PROPANESULFONIC ACID, SODIUM SALT 3-hydroxy-1-propanesulfonicacimonosodiumsalt 3-Hydroxypropane-1-sulfonic acid sodium salt Hpsna3-HydroxypropanesulfonicAcid,SodiumSalt Sodium 3-sulfo-1-propanolate
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- 1.3 Numéro CAS
- 3542-44-7
- 1.4 CID
- 23687212
- 1.5 Numéro EINECS
- 222-584-8
- 1.6 Formule moléculaire
- C3H7NaO4S (isomer)
- 1.7 Inchi
- InChI=1S/C3H8O4S.Na/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
- 1.8 InchiKey
- CSKVLUWCGPWCQR-UHFFFAOYSA-M
- 1.9 Canonique SMILES
- [Na+].OCCCS([O-])(=O)=O
- 1.10 Isomérique SMILES
- C(CO)CS(=O)(=O)[O-].[Na+]
2. Propriétés
- 2.1 Point de fusion
- 260?°C (dec.)(lit.)
3. Sécurité et Manipulation
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Route synthétique
3542-44-7Total: 3 Route synthétique
7. Précurseurs et produits
8. données chimiques calculées
- Masse moléculaire: 162.13g/mol
- Formule moléculaire: C3H7NaO4S
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 161.99627416
- Monoisotopic Mass: 161.99627416
- Complexity: 134
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 85.8
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcYBAOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACkwAKAAAAAAgIAAAAAAHBAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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10. informations réelles sur le produit
skype
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