CAS 492-08-0 (+)-Sparteine (HCID 7014)

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Grundinformationen

CAS: 492-08-0
Standard-SMILES: C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIKey: SLRCCWJSBJZJBV-TUVASFSCSA-N
Summenformel: C15H26N2
Durchschnittliche Molmasse: 234,38 g/mol
Monoisotopische Masse: 234,20959883

Überblick

Lupinidine has been reported in Lupinus pilosus, Thermopsis lanceolata, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name: (+)-Sparteine
IUPAC: (1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
Englischer Name: PACHYCARPINE
Summenformel: C15H26N2
Molmasse: 234.38

Namen und Synonyme

(+)-SparteinePachycarpine492-08-0d-SparteineSparteine, d-isomer6-alpha,7-beta,9-beta,11-beta-SparteineBRN 3540601(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane(7R-(7alpha,7aalpha,14alpha,14abeta))-Dodecahydro-7,14-methano-2H,6H-dipyrido (1,2-a:1',2'-e)(1,5)diazocine5-23-05-00497 (Beilstein Handbook Reference)7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, decahydro-, (7R,7aR,14R,14aS)-(1R,2S,9R,10R)-7,15-diazatetracyclo(7.7.1.02,7.010,15)heptadecane

Weitere Namen anzeigen

D-spartine(+)Sparteine(+)-SparteinSparteine d-isomerPACHYCARPINE USP/EP/BP(+)-Sparteine, 98%, from Parochetus communis D. Don(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane

RefChem:67514805-899-0lupinidineMFCD00869353Tocosamine (Sulfate pentahydrate)NSC376144(7R,7aR,14R,14aS)-Dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocineHY-W008350

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 6,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 17
Formalladung: 0
Komplexität: 263

Physikochemische Eigenschaften

Schmelzpunkt: 201 ℃ · 201℃
Siedepunkt: 174 °C/8mmHg · 174°C/8mmHg(lit.)
Dichte: 1.08 · 1.08
Brechungsindex: 1.527 · n/D1.527
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (slightly), Ethanol
Aggregatzustand: liquid
pka: 10.08 · 10.08±0.20(Predicted)
Farbe: Colourless to Light Yellow
InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1
InChIKey: SLRCCWJSBJZJBV-TUVASFSCSA-N
SMILES: N12CCCC[C@@]1([H])[C@]1([H])C[C@]([H])(C2)[C@@]2([H])CCCCN2C1
CAS Datenbank: 492 · 492-08-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H302+H312+H332 (95.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
RTECS-Nr.: RT0620000
Toxizität: LD50 scu-mus: 90 mg/kg FATOAO 21(5),46,58
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral