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1-Ethyl-1,2,3,4-tetrahydroquinoline

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Name

1-Ethyl-1,2,3,4-tetrahydroquinoline

EINECS 1312995-182-4
CAS No. 16768-69-7 Density 0.977 g/cm3
PSA 3.24000 LogP 2.52410
Solubility N/A Melting Point N/A
Formula C11H15N Boiling Point 265.7 °C at 760 mmHg
Molecular Weight 161.247 Flash Point 104.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16768-69-7 (1-Ethyl-1,2,3,4-tetrahydroquinoline) Hazard Symbols N/A
Synonyms

1,2,3,4-Tetrahydro-1-ethylquinoline;1-Ethyl-1,2,3,4-tetrahydroquinoline;N-Ethyl-1,2,3,4-tetrahydroquinoline;NSC26178;

Article Data 7

1-Ethyl-1,2,3,4-tetrahydroquinoline 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,

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