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CAS No.: | 40525-78-8 |
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Name: | 4α-Aminocyclohexan-1α-ol |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | 4-Aminocyclohexanol;Cyclohexanol, 4-amino-;4-Aminocyclohexan-1-ol;trans-4-Aminocyclohexanol;Cyclohexanol, 4-amino-, trans-;nchembio.87-comp52;AC1Q4UBN;AC1Q4UBO;AC1Q7AEQ; |
Density: | 1.037 g/cm3 |
Melting Point: | 201.1 °C at 760 mmHg |
Boiling Point: | 75.4 °C |
PSA: | 46.25000 |
LogP: | 0.94890 |
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The cis-4-Aminocyclohexanol with CAS registry number of 40525-78-8 is also known as Cyclohexanol, 4-amino-. The IUPAC name is 4-Aminocyclohexan-1-ol. In addition, the formula is C6H13NO and the molecular weight is 115.17.
Physical properties about cis-4-Aminocyclohexanol are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.4; (4)ACD/LogD (pH 7.4): -2.97; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 32.81 cm3; (15)Molar Volume: 111 cm3; (16)Polarizability: 13×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 75.4 °C; (20)Enthalpy of Vaporization: 50.88 kJ/mol; (21)Boiling Point: 201.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0773 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: OC1CCC(N)CC1
2. InChI: InChI=1/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2
3. InChIKey: IMLXLGZJLAOKJN-UHFFFAOYAD
4. Std. InChI: InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2
5. Std. InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N