The Cyclohexylamine, with the cas registry number 108-91-8, is a kind of colorless liquid with an odor of ammonia. Being sensitive to air and light, it is soluble in water and may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Besides, its product categories are including Pharmaceutical Intermediates.
The physical properties of this chemical are as follows: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 31.22 cm3; (15)Molar Volume: 114 cm3; (16)Polarizability: 12.37 ×10-24 cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.869 g/cm3; (19)Flash Point: 32.2 °C; (20)Enthalpy of Vaporization: 36.14 kJ/mol; (21)Boiling Point: 134.5 °C at 760 mmHg; (22)Vapour Pressure: 8.07 mmHg at 25°C.
Use of this chemical: Cyclohexylamine could react with N-tert-Butyl-3-oxobutyramid to produce N-tert-Butyl-3-(cyclohexylamino)crotonsaeure-amid, with the following condition: reagent: conc. HCl ; solvent: CH2Cl2; reaction temp.: 2 hours; yield: 87%.
As to its usage, it is widely applied in many ways. It could be used as the thiofide, the raw material for synthetic fibre, dye and vapour-phase inhibitor; It could also used in producing reactive dye, softening agent, solaziquone, and as the intermediate of phytocide Hexazinone, rubber accelerator, petroleum additive and rust inhibitor; Then it is usually used in organic synthesis, rubber synthesis, and also could be as the preservative and sour gas absorbent. When store it, keep it in a dry, cool and well-ventilated place, away from the oxidizing agent, acids.
When you are dealing with this kind of chemical, you should be much more careful and then take some measures to protect yourself. For one thing, it is corrosive which may destroy living tissue on contact. If in contact with skin and if swallowed, it will be harmful. For another thing, it is flammable and then causes burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When store it, keep locked up and out of the reach of children.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CCC(CC1)N
(2)InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
(3)InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source dog LD50 intravenous 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65(1), Pg. 53S, 1969. guinea pig LCLo inhalation 1200ppm/7H (1200ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
mammal (species unspecified) LD50 intraperitoneal 200mg/kg (200mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES
VASCULAR: SHOCK
LIVER: OTHER CHANGES AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 311, 1952. mouse LC50 inhalation 1070mg/m3 (1070mg/m3) BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(11), Pg. 51, 1963. mouse LD50 intraperitoneal 129mg/kg (129mg/kg) Pharmaceutical Chemistry Journal Vol. 22, Pg. 469, 1988. mouse LD50 intravenous 200mg/kg (200mg/kg) International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. mouse LD50 oral 224mg/kg (224mg/kg) "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 41, 1982. mouse LD50 subcutaneous 1150mg/kg (1150mg/kg) Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 4, Pg. 659, 1958.
mouse LD50 unreported 770mg/kg (770mg/kg) Toxicology and Applied Pharmacology. Vol. 14, Pg. 654, 1969. rabbit LCLo inhalation 150ppm/7H (150ppm) Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
rabbit LD50 skin 320uL/kg (0.32mL/kg) American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rabbit LDLo parenteral 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Industrial and Engineering Chemistry. Vol. 29, Pg. 1247, 1937. rat LC50 inhalation 7500mg/m3 (7500mg/m3) BEHAVIORAL: EXCITEMENT
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(11), Pg. 51, 1963. rat LD50 intraperitoneal 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
BEHAVIORAL: ATAXIA
LUNGS, THORAX, OR RESPIRATION: DYSPNEA Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65(1), Pg. 53S, 1969. rat LD50 oral 11mg/kg (11mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)
LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI
GASTROINTESTINAL: OTHER CHANGES National Technical Information Service. Vol. OTS0534836,
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