CAS No.486-70-4,(-)-Lupinine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	486-70-4
Name:	(-)-Lupinine
Article Data:	15

Formula:	C₁₀H₁₉NO
Molecular Weight:	169.267
Synonyms:	2H-Quinolizine-1-methanol,octahydro-, (1R-trans)-;Lupinine (8CI);(-)-Lupinine;(-)-Octahydro-1H-quinolizine-1-methanol;(1R,9aR)-(Octahydroquinolizin-1-yl)methanol;NSC 21723;
EINECS:	207-638-0
Density:	1.04 g/cm³
Melting Point:	62-65°C
Boiling Point:	245 °C at 760 mmHg
Flash Point:	99.1 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22
Safety:	22-36/37
PSA:	23.47000
LogP:	1.18110

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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.