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| CAS No.: | 55550-84-0 |
|---|---|
| Name: | 1-AMINO-3-METHYLCYCLOHEXANECARBOXYLIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H15NO2 |
| Molecular Weight: | 157.213 |
| Synonyms: | 1-Amino-3-methylcyclohexanecarboxylic acid; |
| Density: | 1.086 g/cm3 |
| Melting Point: | 330℃ |
| Boiling Point: | 276.4 °C at 760 mmHg |
| Flash Point: | 121 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 63.32000 |
| LogP: | 1.67890 |
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- Total:12 Page 1 of 1 1
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Specification
The Cyclohexanecarboxylicacid, 1-amino-3-methyl-, with the CAS registry number 55550-84-0, is also known as 1-Amino-3-methylcyclohexanecarboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.21. What's more, its IUPAC name is 1-Amino-3-methylcyclohexane-1-carboxylic acid.
Physical properties about Cyclohexanecarboxylicacid, 1-amino-3-methyl- are: (1) ACD/LogP: 1.00; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.5; (4) ACD/LogD (pH 7.4): -1.5; (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: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.491; (14) Molar Refractivity: 41.94 cm3; (15) Molar Volume: 144.6 cm3; (16) Polarizability: 16.62×10-24 cm3; (17) Surface Tension: 41.3 dyne/cm; (18) Density: 1.086 g/cm3; (19) Flash Point: 121 °C; (20) Enthalpy of Vaporization: 56.67 kJ/mol; (21) Boiling Point: 276.4 °C at 760 mmHg; (22) Vapour Pressure: 0.00131 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(N)CC(C)CCC1
(2) InChI: InChI=1/C8H15NO2/c1-6-3-2-4-8(9,5-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
(3) InChIKey: CTSBXWGZZLXIRA-UHFFFAOYAN