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Dehydroabietylamin
Leelamine · AMINE D · DEHYDROABIETHYLAMINE · ((1R,4aS,10aR)-7-Isopropyl-1,4a-diMethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)MethanaMine · Dehydrobietylamine · NSC 2955 · 55.0%(GC) · Leelamine HCl
Identifikatoren & physikalische Daten
| CAS No. | 1446-61-3 |
|---|---|
| Summenformel | C20H31N |
| Durchschnittliche Molmasse | 285,5 g/mol |
| Monoisotopische Masse | 285,24564999 g/mol |
| SMILES | CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C |
| InChIKey | JVVXZOOGOGPDRZ-SLFFLAALSA-N |
| PubChem CID | 62034 |
| ChEMBL | CHEMBL70488 |
| ChEBI | CHEBI:93086 |
| EC No. | 215-899-7 |
| DTXSID | DTXSID2041834 |
| Lokaler Name | Dehydroabietylamin |
Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 376 |
| Stoffklassen | Biological Agents -> Rosin and Derivatives |
| Dichte | 1.5460 at 20 °C /technical grade/0.963±0.06 g/cm3 (20 ºC 760 Torr) |
| Viscosity | 1.36X10-2 Pa.s @ 317.65 deg K |
| Color/Form | PALE YELLOW VISCOUS LIQUID /TECHNICAL GRADE/ |
| Schmelzpunkt | 317.65 deg K44.50℃ |
| Dampfdruck | 0.0000042 [mmHg]4.2X10-6 mm Hg |
| Surface Tension | 3.38X10-2 N/m @ 317.65 deg K |
| Optical Rotation | Specific optical rotation is +56.1 deg (c=2.4, pyridine) /technical grade/ |
| Heat of Vaporization | 9.406X10+7 J/kmol @ 317.65 deg K |
| Physical Description | Pale yellow viscous liquid[HSDB] |
| Collision Cross Section | 188.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1047102] |
| Other Experimental Properties | Liquid molar volume is 0.29 cu m/kmol. |
| Siedepunkt | 417.89°C (rough estimate) |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, DMSO, Methanol |
| Aggregatzustand | White solid. |
| pKa (Säurekonstante) | 10.13±0.29(Predicted) |
| Farbe | Pale Yellow |
| BRN | 3084620 |
| InChI | InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1 |
| InChIKey | JVVXZOOGOGPDRZ-SLFFLAALSA-N |
| SMILES | [C@@]1(C)(CN)[C@@]2([H])[C@@](C)(C3=C(CC2)C=C(C(C)C)C=C3)CCC1 |
| CAS Datenbank | 1446-61-3(CAS DataBase Reference) |
| EPA chemische Informationen | Dehydroabietylamine (1446-61-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.5% (7 of 155) of reports.WarningH315 (94.8%): 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)Aggregated GHS information provided per 155 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| Regulatorische Informationen | Chemical: 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-Dehydroabietylamine (mixture of isomeres): Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantMay cause allergic skin reaction[MP Biomedicals MSDS] Abietic acid is the active allergen present in colophony. [Marks, p. 80] See Abietic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (94.8%)Skin Corr. 1B (100%) |
| Critical Temperature and Pressure | Critical temperature = 863.00 deg Kcritical pressure = 1.7X10+6 Pa |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214990 |
| RTECS-Nr. | TP8701000 |
| R-Sätze (R) |
Anwendungen & Verwendung
Verwenden
Dehydroabiethylamine is a primary amine with high molecular weight; shows a strong antibiotic effect with a broad spectrum of activity against Staphylococcus p.a. (sic), Escherichia coli, Mycobacterium tuberculosis, and Candida albicans.