(+)-Sparteine

D-spartine · d-Sparteine · PACHYCARPINE · (+)Sparteine · (+)-Spartein · Sparteine d-isomer · PACHYCARPINE USP/EP/BP · (+)-Sparteine, 98%, from Parochetus communis D. Don

https://huagongshe.com/de/chemical/7014

Identifikatoren & physikalische Daten

CAS No.	492-08-0
Summenformel	C15H26N2
Durchschnittliche Molmasse	234,38 g/mol
Monoisotopische Masse	234,20959883 g/mol
SMILES	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIKey	SLRCCWJSBJZJBV-TUVASFSCSA-N
PubChem CID	7014
ChEMBL	CHEMBL412873
EC No.	805-899-0
DTXSID	DTXSID401317646

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	6,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	17
Formalladung	0
Komplexität	263
Schmelzpunkt	201℃
Siedepunkt	174°C/8mmHg(lit.)
Dichte	1.08
Brechungsindex	n/D1.527
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Chloroform (slightly), Ethanol
Aggregatzustand	liquid
pKa (Säurekonstante)	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	492-08-0

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH302+H312+H332 (95.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute 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.
Hazard Classes and Categories	Acute Tox. 4 (97.7%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933998090
RTECS-Nr.	RT0620000
Toxizität	LD50 scu-mus: 90 mg/kg FATOAO 21(5),46,58
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral