Grundinformationen
- CAS
1446-61-3- Standard-SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C- InChIKey
JVVXZOOGOGPDRZ-SLFFLAALSA-N- Summenformel
- C20H31N
- Durchschnittliche Molmasse
- 285,5 g/mol
- Monoisotopische Masse
- 285,24564999
Überblick
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine is a diterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- Dehydroabietylamine
- IUPAC
- [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
- Lokaler Name
- Dehydroabietylamin
- Englischer Name
- DEHYDROABIETYLAMINE
- Summenformel
- C20H31N
- Molmasse
- 285.47
Namen und Synonyme
1446-61-3LeelamineDEHYDROABIETYLAMINEAmine DNSC-295533289O147PDTXSID2041834Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-RefChem:131449DTXCID0021834215-899-7(+)-Dehydroabietylamine
Weitere Namen anzeigen
DehydrobietylamineNSC 295555.0%(GC)Leelamine HCl((1R,4aS,10aR)Water galbanum
(+)-Dehydroabiethylamine((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamineMFCD00213430Dehydroabiethylamine1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-Dehydroabietylamine (>80%)CHEMBL70488[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
Datenbank-Bezeichner
- CAS
1446-61-3、99306-87-3- PubChem CID
- 62034
- DTXSID
DTXSID2041834- ChEMBL
CHEMBL70488
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 376
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Rosin and Derivatives
Density1.5460 at 20 °C /technical grade/
Viscosity1.36X10-2 Pa.s @ 317.65 deg K
Color/FormPALE YELLOW VISCOUS LIQUID /TECHNICAL GRADE/
Melting Point317.65 deg K
Vapor Pressure
0.0000042 [mmHg]
4.2X10-6 mm Hg
Surface Tension3.38X10-2 N/m @ 317.65 deg K
Optical RotationSpecific optical rotation is +56.1 deg (c=2.4, pyridine) /technical grade/
Heat of Vaporization9.406X10+7 J/kmol @ 317.65 deg K
Physical DescriptionPale yellow viscous liquid; [HSDB]
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
This chemical does not meet GHS hazard criteria for 4.5% (7 of 155) of reports.
Warning
H315 (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
Gefahrenhinweise
Regulatory Information
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
Hazards SummaryAn irritant; May 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 PressureCritical temperature = 863.00 deg K; critical pressure = 1.7X10+6 Pa
Sicherheit und Schutzausrüstung
Disposal Methods
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make bactericides, fungicides, corrosion inhibitors, asphalt additives, and flotation agents; [HSDB]
PRODUCTION OF BACTERICIDES; FUNGICIDES; CORROSION INHIBITORS; ASPHALT ADDITIVES; FLOTATION AGENTS /TECHNICAL GRADE/
Methods of ManufacturingA ROSIN-DERIVED COMPD. SEE ABIETIC ACID. ROSIN, PINE RESIN; TALL OIL. /PURIFIED BY/ CRYSTALLIZATION. /ABIETIC ACID/
Formulations/Preparations
"AMINE D" /IS/ TRADEMARK FOR A TECHNICAL GRADE OF DEHYDROABIETHYLAMINE.
Technical grade is 60% pure by GLC; contains ~90% high molecular weight primary amines.
General Manufacturing Information
1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-: ACTIVE
A MIXT OF BUTYLTIN CHLORIDE, DEHYDROABIETYLAMINE, PENTACHLOROPHENOL, POLY(VINYL CHLORIDE) RESIN PAINT, & ETHYL ACETATE & SEVERAL SIMILAR FORMULATIONS WERE EFFECTIVE FOR PREVENTING RAT DAMAGE OF INSULATED CABLE. WEATHERING FOR 5 YR DID NOT REDUCE THE EFFECT.
TOPICAL COMPOSITION CONTAINING 1-10% DEHYDROABIETYLAMINE ACETATE, DEHYDROABIETYLAMINE, OR DEHYDROABIETYLAMINE-ETHYLENE OXIDE ADDUCT PROVIDED A NONIRRITANT, WASHING-RESISTANT COATING THROUGH WHICH THE INFECTIVE CERCARIAE OF SCHISTOSOMA DO NOT PASS READILY. THUS, A 99-100% PROTECTION AGAINST S JAPONICUM PENETRATION WAS AFFORDED THROUGH PRIOR APPLICATION OF 2.5-5% DEHYDROABIETYLAMINE SOLN ON SHAVED BELLIES OF MICE.
SOLN OF AMINE D (DEHYDROABIETYLAMINE; 70%) IN ETHANOL OR BENZYL ALC, WHEN SPRAYED ON OIL SLICK TO A CONCN OF ABOUT 10% & THEN TREATED WITH CARBON DIOXIDE TO FORM THE CARBAMATE, PROVIDES EXCELLENT GELATION OF THE OIL. A FIELD TEST INDICATED THAT THIS SYSTEM IS VERY ADVANTAGEOUS IN RECOVERY OF OIL SLICKS, IN TERMS OF EASE OF PICKUP. THE TOXICITY OF AMINE D IS OF VERY LOW ORDER, COMPARABLE TO THAT OF OIL SLICK ITSELF; FOR WATER DEPTHS OF GREATER THAN 2 FT, THE TOXICITY IS NEGLIGIBLE.
Anwendungen
VerwendenDehydroabiethylamine 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.
Zugehörige Reaktionen
24
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