Grundinformationen
- Standard-SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(O)cc1- InChIKey
LRWJRIFKJPPAPM-UHFFFAOYSA-N- Summenformel
- C13H17NO5
- Durchschnittliche Molmasse
- 267,28 g/mol
- Monoisotopische Masse
- 267,11067264
Namen und Bezeichner
- Bevorzugter Name
- N-Boc-4-Hydroxyphenyl-DL-glycine
- IUPAC
- 2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- Englischer Name
- N-Boc-4-Hydroxyphenyl-DL-glycine
- Summenformel
- C13H17NO5
- Molmasse
- 267.28
Namen und Synonyme
53249-34-6N-Boc-4-Hydroxyphenyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-(4-hydroxyphenyl)acetic acidtert-butoxycarbonylamino-(4-hydroxy-phenyl)-acetic acid2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04038494Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-[(TERT-BUTOXYCARBONYL)AMINO](4-HYDROXYPHENYL)ACETIC ACID2-{[(tert-butoxy)carbonyl]amino}-2-(4-hydroxyphenyl)acetic acidBoc-2-amino-2-(4-hydroxyphenyl)acetic acidBoc-D-Phg(4-OH)-OHEN300-1071280
Weitere Namen anzeigen
Boc-DL-Phg(4-OH)Boc-D,L-Phg(4-OH)-OHBOC-D-4-HydroxyphenylglycineBoc-d-p-hydroxyphenylglycineBoc-4-Hydroxyphenyl-DL-GlycineN-Boc-RS-4-HydroxyphenylglycineN-Boc-4-Hydroxyphenyl-DL-glycine USP/EP/BP
tert-butoxycarbonylamino(4-hydroxyphenyl)acetic acid2-(tert-butoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acidBoc-DL-4-OH-Phg-OH2-(boc-amino)-2-(4'-hydroxyphenyl)acetic acidSCHEMBL191987tert-butoxycarbonylamino-(4-hydroxyphenyl)acetic acidDTXSID60400562LRWJRIFKJPPAPM-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
53249-34-6- PubChem CID
- 4189925
- DTXSID
DTXSID60400562- EC Number
- 675-741-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 95,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 328
Physikochemische Eigenschaften
- Siedepunkt
- 463.1 · 463.1±40.0 °C(Predicted)
- Dichte
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.71 · 3.71±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
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