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| CAS No.: | 701-54-2 |
|---|---|
| Name: | Tranexamic acid |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H15NO2 |
| Molecular Weight: | 157.213 |
| Synonyms: | 1-(Aminomethyl)cyclohexane-4-carboxylicacid;4-(Aminomethyl)-1-cyclohexanecarboxylic acid;4-(Aminomethyl)cyclohexanecarboxylicacid;p-(Aminomethyl)cyclohexanecarboxylic acid; |
| EINECS: | 214-818-2 |
| Density: | 1.095 g/cm3 |
| Melting Point: | 233 °C |
| Boiling Point: | 300.2 °C at 760 mmHg |
| Flash Point: | 135.4 °C |
| Solubility: | 1g/6ml |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 63.32000 |
| LogP: | 1.53640 |
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Specification
The CAS register number of Cyclohexanecarboxylicacid, 4-(aminomethyl)- is 701-54-2. In addition, the molecular formula is C8H15NO2 and the molecular weight is 157.21. The systematic name is 4-(aminomethyl)cyclohexanecarboxylic acid. It is a kind of Drug/Therapeutic Agent. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Cyclohexanecarboxylicacid, 4-(aminomethyl)- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -2.25; (3)ACD/LogD (pH 7.4): -2.19; (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: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 42 cm3; (14)Molar Volume: 143.4 cm3; (15)Polarizability: 16.65 ×10-24cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.095 g/cm3; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 300.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000268 mmHg at 25°C.
Uses of Cyclohexanecarboxylicacid, 4-(aminomethyl)-: it can be used to produce 4-aminomethyl-cyclohexanecarboxylic acid methyl ester with methanol. This reaction will need reagent HCl. The reaction time is 5 hours by heating. The yield is about 96%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCC(CN)CC1
(2)InChI: InChI=1/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
(3)InChIKey: GYDJEQRTZSCIOI-UHFFFAOYAS
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 1600mg/kg (1600mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965. | |
| mouse | LD50 | oral | > 15gm/kg (15000mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965. | |
| rat | LD50 | intravenous | 1800mg/kg (1800mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965. | |
| rat | LD50 | oral | > 15gm/kg (15000mg/kg) | Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965. |