HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Heptylamin
Heptanamine · HEPTYLAMINE · AMINE C7 · Heptylamin · n-Heptylamin · CH3(CH2)6NH2 · Aminoheptane · N-HEPYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 111-68-2 |
|---|---|
| Summenformel | C7H17N |
| Durchschnittliche Molmasse | 115,22 g/mol |
| Monoisotopische Masse | 115,13609955 g/mol |
| SMILES | CCCCCCCN |
| InChIKey | WJYIASZWHGOTOU-UHFFFAOYSA-N |
| PubChem CID | 8127 |
| ChEMBL | CHEMBL3561940 |
| ChEBI | CHEBI:182628 |
| EC No. | 203-895-8 |
| DTXSID | DTXSID7020681 |
| Lokaler Name | Heptylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 35 |
| Ionization Efficiency | Positive3.512.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 930937941928943.29399319429329339349359181218121512171219122012231213 |
| Schmelzpunkt | -23 °C |
| Siedepunkt | 154-156 °C(lit.) |
| Dichte | 0.777 g/mL at 25 °C(lit.) |
| Dampfdruck | 4.3-8hPa at 20-30℃ |
| Brechungsindex | n20/D 1.424(lit.) |
| Flammpunkt | 95 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 10.67(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Soluble in water 6791 mg/L @ 25°C. |
| BRN | 1731688 |
| Henry-Konstante | 2.8×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3 |
| InChIKey | WJYIASZWHGOTOU-UHFFFAOYSA-N |
| SMILES | CCCCCCCN |
| LogP (Verteilungskoeffizient) | 2.57 |
| CAS Datenbank | 111-68-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Heptanamine (111-68-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1-HeptanamineStatus: Cease Manufacture Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/213761-Heptanamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Corr. 1A (100%) |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29211999 |
| RTECS-Nr. | MK0600000 |
| R-Sätze (R) | 10-34 |
| Toxizität | mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941. |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
Heptylamine is used in organic syntheses.