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(-)-Lupinine

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Name (-)-Lupinine EINECS 207-638-0
CAS No. 486-70-4 Density 1.04 g/cm3
Solubility Melting Point 62-65°C
Formula C10H19NO Boiling Point 245 °C at 760 mmHg
Molecular Weight 169.26 Flash Point 99.1 °C
Transport Information Appearance
Safety 22-36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 486-70-4 ((-)-Lupinine) Hazard Symbols IrritantXi
Synonyms

2H-Quinolizine-1-methanol,octahydro-, (1R-trans)-;Lupinine (8CI);(-)-Lupinine;(-)-Octahydro-1H-quinolizine-1-methanol;(1R,9aR)-(Octahydroquinolizin-1-yl)methanol;NSC 21723;

 

Specification

The (-)-Lupinine is an organic compound with the formula C10H19NO. The IUPAC name of this chemical is [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol. With the CAS registry number 486-70-4, it is also named as 2H-quinolizine-1-methanol, octahydro-, (1R,9aR)-.  Besides, it should be stored in a cool, dry place.

Physical properties about (-)-Lupinine are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 49.63 cm3; (14)Molar Volume: 161.8 cm3; (15)Polarizability: 19.67×10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.04 g/cm3; (18)Flash Point: 99.1 °C; (19)Enthalpy of Vaporization: 56.02 kJ/mol; (20)Boiling Point: 245 °C at 760 mmHg; (21)Vapour Pressure: 0.00489 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H]1[C@@H]2N(CCC1)CCCC2
(2)InChI: InChI=1/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
(3)InChIKey: HDVAWXXJVMJBAR-VHSXEESVBK
(4)Std. InChI: InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
(5)Std. InChIKey: HDVAWXXJVMJBAR-VHSXEESVSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 100mg/kg (100mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 26, 1946.
guinea pig LDLo intraperitoneal 28mg/kg (28mg/kg)   Journal of Agricultural Research Vol. 32, Pg. 51, 1926.
mouse LD50 intravenous 15mg/kg (15mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 26, 1946.
mouse LDLo subcutaneous 50mg/kg (50mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 26, 1946.

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