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Cyclopropylamin
Cyclopropanamine · AMINOCYCLOPROPANE · AURORA KA-2551 · Cydopropylamine · Cylopropylamine · Cyloprolylamine · CYCLOPROPYLAMINE · Ring propylaMine
Identifikatoren & physikalische Daten
| CAS No. | 765-30-0 |
|---|---|
| Summenformel | C3H7N |
| Durchschnittliche Molmasse | 57,09 g/mol |
| Monoisotopische Masse | 57,05784922 g/mol |
| SMILES | NC1CC1 |
| InChIKey | HTJDQJBWANPRPF-UHFFFAOYSA-N |
| PubChem CID | 69828 |
| ChEBI | CHEBI:34660 |
| EC No. | 212-142-2 |
| DTXSID | DTXSID9061099 |
| Lokaler Name | Cyclopropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 22,5 |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (Verteilungskoeffizient) | 0.07 |
| Physical Description | Liquid |
| Schmelzpunkt | -50 °C |
| Siedepunkt | 49-50 °C (lit.) |
| Dichte | 0.824 g/mL at 25 °C (lit.) |
| Dampfdruck | 4.67 psi ( 20 °C) |
| Brechungsindex | n20/D 1.420(lit.) |
| Flammpunkt | −14 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)Miscible with water, ethanol,ether and chloroform. |
| Aggregatzustand | Volatile Liquid |
| pKa (Säurekonstante) | pK1:9.10(+1) (25°C) |
| Farbe | Clear colorless |
| Wichte | 0.824 |
| Spezifische Wärmekapazität | Cp(liquid): 2.58 J/(g·K), at 25℃ |
| BRN | 741858 |
| Stabilität | Volatile |
| InChI | 1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 |
| InChIKey | HTJDQJBWANPRPF-UHFFFAOYSA-N |
| SMILES | NC1CC1 |
| LogP (Verteilungskoeffizient) | 0.070 |
| CAS Datenbank | 765-30-0(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclopropylamine(765-30-0) |
| EPA chemische Informationen | Cyclopropanamine (765-30-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 203 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: CyclopropanamineCyclopropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5343Cyclopropylamine: HSNO Approval: HSR004423 Approved with controls |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2733 3/PG 2 |
| Zollcode | 29213099 |
| RTECS-Nr. | GZ0685500 |
| R-Sätze (R) | 11-22-34-36/37 |
| Toxizität | LD50 orally in Rabbit: 445 mg/kg |
| Gefahrensymbole | F,C,Xi |
| hazard_note | Extremely Flammable/Harmful/Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-33-7/9 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 527 °F |
Anwendungen & Verwendung
Verwenden
Cyclopropylamine is used in the preparation of N-[4-(4-fluoro)phenyl-2-aminothiazol-5-yl]pyrimidin-2-yl-alkylamine derivatives. It is also used to prepare Pt(CPA)2(bismethylthiomethylenepropanedioate) and Pt(CPA)2(bisethylthiomethylenepropanedioate) complexes.
Herstellung & Synthese
synthetische
Cyclopropylamine is synthesized from 1,3-propanediol by bromination, cyanation, cyclization, amidation, and Hoffmann rearrangement. It is also synthesized with γ-butyrolactone and isopropanol by five steps of ring-opening esterification, cyclization, hydrolysis, acylation and Hofmann degradation.