cis-1-benzoyl-4-((4-methylsulfonyl)oxy)-L-proline
Grundinformationen
- CAS
120807-02-5- Standard-SMILES
CS(=O)(=O)O[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2)C1- InChIKey
ZLUIBJGFQFHEPT-QWRGUYRKSA-N- Summenformel
- C13H15NO6S
- Durchschnittliche Molmasse
- 313,33 g/mol
- Monoisotopische Masse
- 313,0620082
Namen und Bezeichner
- Bevorzugter Name
- cis-1-benzoyl-4-((4-methylsulfonyl)oxy)-L-proline
- IUPAC
- (2S,4S)-1-benzoyl-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
- Englischer Name
- (4S)-N-BENZOYL-4-(MESYLOXY)-L-PROLINE
- Summenformel
- C13H15NO6S
- Molmasse
- 313.33
Namen und Synonyme
cis-1-benzoyl-4-((4-methylsulfonyl)oxy)-L-prolineEC 416-040-0cis-1-benzoyl-4-[(4-methylsulfonyl)oxy]-L-prolineL-Proline, 1-benzoyl-4-((methylsulfonyl)oxy)-, cis-L-Proline, 1-benzoyl-4-[(methylsulfonyl)oxy]-, cis-RefChem:577290416-040-0601-740-2120807-02-5129155-63-1(2S,4S)-1-Benzoyl-4-((methylsulfonyl)oxy)pyrrolidine-2-carboxylic acid(2S,4S)-1-BENZOYL-4-(METHANESULFONYLOXY)PYRROLIDINE-2-CARBOXYLIC ACID
Weitere Namen anzeigen
N-benzoyl-4-cis-(methanesulfonyloxy)-L-prolineL-Proline, 1-benzoyl-4-[(methylsulfonyl)oxy]-, cis- (9CI)
cis-1-Benzoyl-4-mesyloxy-L-proline(4S)-N-BENZOYL-4-(MESYLOXY)-L-PROLINESCHEMBL10467900DTXSID20923565(2S,4S)-1-benzoyl-4-methylsulfonyloxypyrrolidine-2-carboxylic acidAKOS022180568(cis)-1-benzoyl-4-mesyloxy-L-proline1-Benzoyl-4-[(methanesulfonyl)oxy]proline
Datenbank-Bezeichner
- CAS
120807-02-5、129155-63-1- PubChem CID
- 11120569
- DTXSID
DTXSID20923565- EC Number
- 416-040-0、601-740-2、603-319-9
- Nikkaji
- J775.978I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 109 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 505
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 · 172-173 °C
- Siedepunkt
- 591.7 · 591.7±50.0 °C(Predicted)
- Dichte
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 09-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13997
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Sicherheitsdaten
- risk_code
- 52/53
- safety_code
- 61
Chemie und Industrie
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