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| CAS No.: | 104883-49-0 |
|---|---|
| Name: | 3-Amino-octanoic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H17NO2 |
| Molecular Weight: | 159.23 |
| Synonyms: | 3-Aminooctanoic acid; |
| Density: | 0.999 g/cm3 |
| Boiling Point: | 273.2 °C at 760 mmHg |
| Flash Point: | 119 °C |
| PSA: | 63.32000 |
| LogP: | 2.06900 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Amino-octanoic acid, with the CAS registry number 104883-49-0, is also known as Octanoic acid, 3-amino-, (1)-. This chemical's molecular formula is C8H17NO2 and molecular weight is 159.23. What's more, its systematic name is 3-Aminooctanoic acid.
Physical properties about 3-Amino-octanoic acid are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 44.17 cm3; (13)Molar Volume: 159.2 cm3; (14)Polarizability: 17.51×10-24 cm3; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 0.999 g/cm3; (17)Flash Point: 119 °C; (18)Enthalpy of Vaporization: 56.3 kJ/mol; (19)Boiling Point: 273.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00161 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)CCCCC
(2) InChI: InChI=1/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
(3) InChIKey: FYHHDJRMDOBZJF-UHFFFAOYAQ