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90-39-1

Basic Information
CAS No.: 90-39-1
Name: (-)-SPARTEINE
Article Data: 22
Molecular Structure:
Molecular Structure of 90-39-1 ((-)-SPARTEINE)
Formula: C15H26N2
Molecular Weight: 234.385
Synonyms: 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, [7S-(7a,7aa,14a,14ab)]-;Sparteine (6CI,8CI);(-)-Sparteine;6b,7a,9a,11a-Pachycarpine;Lupinidin;Lupinidine;Spartein;l-Sparteine;Sparteine;
EINECS: 201-988-8
Density: 1.08 g/cm3
Melting Point: 30.5°C
Boiling Point: 340.9 °C at 760 mmHg
Flash Point: 148.3 °C
Solubility: 3.04g/L(25 oC)
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36
PSA: 6.48000
LogP: 2.22090
Downstream Products
67-63-0
90-39-1
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  • (-)-Sparteine

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    90-39-1

    (-)-Sparteine

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  • Sparteine CAS NO.90-39-1

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    90-39-1

    Sparteine CAS NO.90-39-1

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  • (-)-Sparteine

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Specification

The Sparteine is an organic compound with the formula C15H26N2. The systematic name of this chemical is sparteine. With the CAS registry number 90-39-1, it is also named as 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-. The product's categories are Alkaloids; Alkaloids (Others); Biochemistry. Besides, it should be stored in a closed cool and dry place. It is used as a chiral base in organic chemistry, and as a ligand in organic synthesis.

Physical properties about Sparteine are: (1)ACD/LogP: 2.837; (2)ACD/LogD (pH 5.5): -1.22; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.15; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.57; (10)Molar Refractivity: 71.006 cm3; (11)Molar Volume: 216.361 cm3; (12)Polarizability: 28.149 10-24cm3; (13)Surface Tension: 44.0499992370605 dyne/cm; (14)Density: 1.083 g/cm3; (15)Flash Point: 148.344 °C; (16)Enthalpy of Vaporization: 58.449 kJ/mol; (17)Boiling Point: 340.892 °C at 760 mmHg

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)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;
(2)InChIKey=SLRCCWJSBJZJBV-TUVASFSCSA-N;
(3)SmilesC1[C@H]2[C@H]3[N@@](C[C@@H]1[C@H]1CCCC[N@@]1C2)CCCC3

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 15mg/kg (15mg/kg)   Veterinary and Human Toxicology. Vol. 41, Pg. 33, 1999.
frog LDLo intramuscular 1665mg/kg (1665mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
frog LDLo subcutaneous 3330mg/kg (3330mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
guinea pig LDLo intraperitoneal 23mg/kg (23mg/kg)   Journal of Agricultural Research Vol. 32, Pg. 51, 1926.
guinea pig LDLo intravenous 27mg/kg (27mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 intraperitoneal 36mg/kg (36mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 oral 220mg/kg (220mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: TREMOR
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 subcutaneous 105mg/kg (105mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 468, 1958.
pigeon LDLo subcutaneous 86mg/kg (86mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
rabbit LDLo intravenous 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 589, 1948.
rat LD50 intraperitoneal 42mg/kg (42mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 oral 960mg/kg (960mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 210, Pg. 27, 1974.