HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Aminopropan-2-ol
MIPA · 1-aminopropan-2-ol · MONOISOPROPANOLAMINE · 1-AMINO-2-PROPANOL · ISOPROPANOLAMINE · DL-1-AMINO-2-PROPANOL · 3-Amino-2-propanol · 1-AMINOISOPROPANOL
Identifikatoren & physikalische Daten
| CAS No. | 78-96-6 |
|---|---|
| Summenformel | C3H9NO |
| Durchschnittliche Molmasse | 75,11 g/mol |
| Monoisotopische Masse | 75,06841391 g/mol |
| SMILES | CC(O)CN |
| InChIKey | HXKKHQJGJAFBHI-UHFFFAOYSA-N |
| PubChem CID | 4 |
| ChEMBL | CHEMBL326602 |
| ChEBI | CHEBI:19030 |
| EC No. | 201-162-7 |
| DTXSID | DTXSID9021764 |
| Lokaler Name | 1-Aminopropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 22 |
| Schmelzpunkt | -2 °C (lit.) |
| Siedepunkt | 160 °C (lit.) |
| Dichte | 0.973 g/mL at 25 °C (lit.) |
| Dampfdichte | 2.6 (vs air) |
| Dampfdruck | <1 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.4478(lit.) |
| FEMA | 3965 | 1-AMINO-2-PROPANOL |
| Flammpunkt | 165 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO : 250 mg/mL (3328.45 mMNeed ultrasonic)freely soluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 12.92±0.35(Predicted) |
| Farbe | Clear |
| pH | 11.3 (10g/l, H2O, 20℃) |
| Geruch | slt ammonia odor |
| Geruchsart | fishy |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 1.9-10.4%(V) |
| JECFA Number | 1591 |
| BRN | 605275 |
| Henry-Konstante | 4.2×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic. |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 |
| InChIKey | HXKKHQJGJAFBHI-UHFFFAOYSA-N |
| SMILES | CC(O)CN |
| LogP (Verteilungskoeffizient) | -0.93 at 23℃ |
| Oberflächenspannung | 37.6mN/m at 293.15K |
| CAS Datenbank | 78-96-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propanol, 1-amino-(78-96-6) |
| EPA chemische Informationen | Monoisopropanolamine (78-96-6) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29221980 |
| RTECS-Nr. | UA5775000 |
| R-Sätze (R) | 34-21/22 |
| Toxizität | LD50 orl-rat: 1715 mg/kg GTPZAB 30(7),46,86 |
| Gefahrensymbole | C,Xn |
| Sicherheitshinweise (S) | 23-26-36-45-36/37 |
| Gefahrenklasse | 8Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 78-96-6(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 335°C |
Anwendungen & Verwendung
Occurrence
Reportedly present in sherry.
Verwenden
Amino-2-propanol is used to study the effect of temperature and water content on the molecular structure and hydrogen bonding of amino-2-propanol, which has been examined by Fourier transform near-infrared (FT-NIR) spectroscopy. Also used in used in the synthesis of protein kinase CK2 inhibitors used in the treatment of neoplasia and other infective diseases.
Herstellung & Synthese
synthetische
By employing Salmonella, mutatant cobD, and aminopropanol