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| CAS No.: | 84029-94-7 |
|---|---|
| Name: | 6-aminoundecanoic acid |
| Article Data: | 31 |
| Molecular Structure: | |
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| Formula: | C11H23NO2 |
| Molecular Weight: | 201.309 |
| Synonyms: | 6-aminoundecanoic acid;Einecs 281-766-5 |
| EINECS: | 281-766-5 |
| Density: | 0.964 g/cm3 |
| Boiling Point: | 326.1 °C at 760 mmHg |
| Flash Point: | 151 °C |
| PSA: | 63.32000 |
| LogP: | 3.23930 |
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Specification
This chemical is called Undecanoic acid, 6-amino-, and its systematic name is 6-Aminoundecanoic acid. With the molecular formula of C11H23NO2, its molecular weight is 201.31. The CAS registry number of this chemical is 84029-94-7.
Other characteristics of the Undecanoic acid, 6-amino- can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.3; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 58.06 cm3; (15)Molar Volume: 208.7 cm3; (16)Polarizability: 23.02×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.964 g/cm3; (19)Flash Point: 151 °C; (20)Enthalpy of Vaporization: 62.47 kJ/mol; (21)Boiling Point: 326.1 °C at 760 mmHg; (22)Vapour Pressure: 4.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCCCC(N)CCCCC
2.InChI: InChI=1/C11H23NO2/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
3.InChIKey: JTCAFTOXSIHBFL-UHFFFAOYAQ