3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
Grundinformationen
- CAS
480424-98-4- Standard-SMILES
CC1(C)OB(c2ccc(NC(=O)CCC(=O)O)cc2)OC1(C)C- InChIKey
GZCXOZHMQNWRGM-UHFFFAOYSA-N- Summenformel
- C16H22BNO5
- Durchschnittliche Molmasse
- 319,2 g/mol
- Monoisotopische Masse
- 319,159103
Namen und Bezeichner
- Bevorzugter Name
- 3-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
- IUPAC
- 4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
- Englischer Name
- N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINAMIC ACID
- Summenformel
- C16H22BNO5
- Molmasse
- 319.16
Namen und Synonyme
3-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid3-((4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamoyl)propanoic acidRefChem:488533622-003-1480424-98-44-Oxo-4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acidN-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid4-(Succinylamino)phenylboronic acid pinacol esterMFCD037892674-(3-CARBOXYPROPANAMIDO)PHENYLBORONIC ACID, PINACOL ESTER3-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}propanoic acid
Weitere Namen anzeigen
N-[4-(42-DIOXABORO-LAN-2-YL)PHENYL]SUCCINAMIC ACID4-(Succinimidoyl)benzeneboronic acid pinacol ester4-(Succinylamino)phenylboronic acid pinacol ester, 97%N[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINNAMIC ACID
578762_ALDRICH, BM066, ST5405616, 4-(Succinylamino)phenylboronic acid pinacol ester, 4-(3-Carboxypropionylamino)phenylboronic acid pinacol ester, N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid, 480424-98-44-(3-Carboxypropanamido)phenylboronic acid pinacol ester4-(3-carboxypropionylamino)phenylboronic acid, pinacol esterSCHEMBL3015460DTXSID70370424GZCXOZHMQNWRGM-UHFFFAOYSA-NAKOS015894326AB16144
Datenbank-Bezeichner
- CAS
480424-98-4- PubChem CID
- 2734654
- DTXSID
DTXSID70370424- EC Number
- 622-003-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 84,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 441
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 · 175-178 °C(lit.)
- Siedepunkt
- 539.7 · 539.7±35.0 °C(Predicted)
- Dichte
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator (+4°C)
- pka
- 4 · 4+-.0.10(Predicted)
- InChI
- 1S/C16H22BNO5/c1-15(2)16(3,4)23-17(22-15)11-5-7-12(8-6-11)18-13(19)9-10-14(20)21/h5-8H,9-10H2,1-4H3,(H,18,19)(H,20,21)
- InChIKey
- GZCXOZHMQNWRGM-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccc(NC(=O)CCC(O)=O)cc2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter39 Anbieter
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