Tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-YL]carbamate
Grundinformationen
- CAS
52716-49-1- Standard-SMILES
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)CBr- InChIKey
SUVXZTLARLVLOJ-VIFPVBQESA-N- Summenformel
- C12H22BrNO3
- Durchschnittliche Molmasse
- 308,21 g/mol
- Monoisotopische Masse
- 307,07831
Namen und Bezeichner
- Bevorzugter Name
- Tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-YL]carbamate
- IUPAC
- tert-butyl N-[(3S)-1-bromo-5-methyl-2-oxohexan-3-yl]carbamate
Namen und Synonyme
52716-49-1TERT-BUTYL N-[(3S)-1-BROMO-5-METHYL-2-OXOHEXAN-3-YL]CARBAMATECHEMBL475067SCHEMBL1041131SUVXZTLARLVLOJ-VIFPVBQESA-NEN300-7060568(3S)-1-bromo-3-(t-butoxycarbonylamino)-5-methyl-2-hexanone(S)-[1-(2-bromo-acetyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
Datenbank-Bezeichner
- CAS
52716-49-1- PubChem CID
- 11034179
- ChEMBL
CHEMBL475067- EC Number
- 156-206-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 55,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 271
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
3
Notizen zur Verbindung
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