2-Aminopropan-1,3-diol
Serinol
Grundinformationen
- CAS
534-03-2- Standard-SMILES
NC(CO)CO- InChIKey
KJJPLEZQSCZCKE-UHFFFAOYSA-N- Summenformel
- C3H9NO2
- Durchschnittliche Molmasse
- 91,11 g/mol
- Monoisotopische Masse
- 91,06332853
Überblick
RN given refers to cpd without isomeric designation
Namen und Bezeichner
- Bevorzugter Name
- Serinol
- IUPAC
- 2-aminopropane-1,3-diol
- Lokaler Name
- 2-Aminopropan-1,3-diol
- Englischer Name
- 2-Amino-1,3-propanediol
- Summenformel
- C3H9NO2
- Molmasse
- 91.11
Namen und Synonyme
2-Amino-1,3-propanediol534-03-2Serinol2-Aminopropane-1,3-diol1,3-Propanediol, 2-amino-IC94L30J8MNSC-93746DTXSID2060202RefChem:182519DTXCID7041419208-584-02-Amino-1,3-propandiol
Weitere Namen anzeigen
Ser-OLSerinol 98%Seryl AlcoholSerine alcoholS8002Dl-Serinol2-Aminoglycerol2-Amino-1,3-propaned
MFCD000514872-Amino-1,3-dihydroxypropaneDL-SERINOLL-SERINOL2-aminopropan-1,3-diolSELEINECS 208-584-0UNII-IC94L30J8M
Datenbank-Bezeichner
- CAS
534-03-2- PubChem CID
- 68294
- DTXSID
DTXSID2060202- ChEMBL
CHEMBL116834- UNII
- IC94L30J8M
- EC Number
- 208-584-0
- Nikkaji
- J138.283G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2
- Polarare Oberfläche (TPSA)
- 66,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 28
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-55 °C (lit.)
- Siedepunkt
- 277 °C · 277 °C (lit.)
- Dichte
- 1.1278 · 1.1278 (rough estimate)
- Dampfdruck
- 0.01 Pa · 0.01Pa at 25℃
- Brechungsindex
- 1.4698 · 1.4698 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- DMSO (Soluble, Sonicated), Methanol (Slightly, Sonicated), Water (Slightly)
- pka
- 12.24 · 12.24±0.10(Predicted)
- Aggregatzustand
- Adhering Crystalline Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- Soluble in water and alcohol.
- BRN
- 635683 · 635683
- Stabilität
- Hygroscopic
- InChIKey
- KJJPLEZQSCZCKE-UHFFFAOYSA-N
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
Danger
H314 (48.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 122 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10161
Hazard Classes and CategoriesSkin Corr. 1C (48.4%)
Sicherheitsdaten
- F
- 3-10-34
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3263 8/PG 2
- hs_code
- 2922199090
- risk_code
- 34
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,3-Propanediol, 2-amino-: ACTIVE
Anwendungen
Beschreibung2-Amino-1,3-propanediol (2-APD, also known as serinol) is a high-value-added chemical that is used as a building block for the synthesis of a variety of compounds, including drugs to treat type 2 diabetes mellitus, the antibiotic chloramphenicol, immune multiple sclerosis, and a new generation of nonionic X-ray contrast agents.
Verwenden2-Amino-1,3-propanediol is used as an intermediate in several chemical applications and also useful for serinol and some of its derivatives.
Darstellung
synthetischeAdd 20% 2-nitro-1,3-propanediol methanol solution (1250 g) to 5% palladium/carbon 3.5 g. Hydrogen (70 L, pressure 3MPa) was continuously introduced and reacted at 75°C for 5 hours to obtain serine alcohol solution. The serine alcohol solution is pumped into a high vacuum distillation vessel, vacuumed to 40 pa, and methanol is distilled for reuse. Yield = 97.2%.
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