CAS No.16768-69-7,1-Ethyl-1,2,3,4-tetrahydroquinoline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16768-69-7
Name:	1-Ethyl-1,2,3,4-tetrahydroquinoline
Article Data:	7

Formula:	C₁₁H₁₅N
Molecular Weight:	161.247
Synonyms:	1,2,3,4-Tetrahydro-1-ethylquinoline;1-Ethyl-1,2,3,4-tetrahydroquinoline;N-Ethyl-1,2,3,4-tetrahydroquinoline;NSC26178;
EINECS:	1312995-182-4
Density:	0.977 g/cm³
Boiling Point:	265.7 °C at 760 mmHg
Flash Point:	104.7 °C
PSA:	3.24000
LogP:	2.52410

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Specification

The CAS register number of Quinoline,1-ethyl-1,2,3,4-tetrahydro- is 16768-69-7. It also can be called as 1,2,3,4-Tetrahydro-1-ethylquinoline and the systematic name about this chemical is 1-ethyl-1,2,3,4-tetrahydroquinoline. The molecular formula about this chemical is C₁₁H₁₅N and the molecular weight is 161.247.

Physical properties about Quinoline,1-ethyl-1,2,3,4-tetrahydro- are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 3.13; (4)ACD/BCF (pH 5.5): 8.6; (5)ACD/BCF (pH 7.4): 134.48; (6)ACD/KOC (pH 5.5): 69.8; (7)ACD/KOC (pH 7.4): 1091.5; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 3.24 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 51.32 cm³; (13)Molar Volume: 164.8 cm³; (14)Polarizability: 20.34x10^-24cm³; (15)Surface Tension: 34.2 dyne/cm; (16)Density: 0.977 g/cm³; (17)Flash Point: 104.7 °C; (18)Enthalpy of Vaporization: 50.37 kJ/mol; (19)Boiling Point: 265.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00901 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1,2,3,4-tetrahydro-quinoline and acetic acid. This reaction will need reagent of NaBH₄ and the yield is about 60%.

Quinoline,1-ethyl-1,2,3,4-tetrahydro- can be prepared by 1,2,3,4-tetrahydro-quinoline and acetic acid.

Uses of Quinoline,1-ethyl-1,2,3,4-tetrahydro-: it can be used to produce 1-Ethyl-1,2,3,4-tetrahydroquinoline-2-carbonitrile with hydrocyanic acid; sodium salt. This reaction will need reagent of AcOLi*2H₂O and solvent of methanol. This reaction needs electrochemical oxidation and the yield is about 65%.

Quinoline,1-ethyl-1,2,3,4-tetrahydro- can be used to produce 1-Ethyl-1,2,3,4-tetrahydroquinoline-2-carbonitrile with hydrocyanic acid; sodium salt.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)CCCN2CC
(2)InChI: InChI=1/C11H15N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3
(3)InChIKey: QYKOLWLKTJIVEX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H15N/c1-2-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3
(5)Std. InChIKey: QYKOLWLKTJIVEX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	1777mg/kg (1777mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0540643,