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| CAS No.: | 18664-78-3 |
|---|---|
| Name: | 3-AMINO-PENTANOIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H11NO2 |
| Molecular Weight: | 117.15 |
| Synonyms: | Valericacid, 3-amino- (7CI,8CI);(3R,S)-3-Aminovaleric acid;(?à)-3-Aminopentanoic acid;3-Aminopentanoic acid;b-Aminovaleric acid; |
| Density: | 1.067 g/cm3 |
| Boiling Point: | 230.142 °C at 760 mmHg |
| Flash Point: | 92.987 °C |
| PSA: | 63.32000 |
| LogP: | 0.89870 |
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Specification
The cas register number of 3-Aminopentanoic acid is 18664-78-3. It also can be called as Pentanoic acid,3-amino- and the Systematic name about this chemical is 3-aminopentanoic acid.
Physical properties about 3-Aminopentanoic acid are: (1)ACD/LogP: -0.02; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 63.32Å2; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 30.272 cm3; (12)Molar Volume: 109.749 cm3; (13)Polarizability: 12.001x10-24cm3; (14)Surface Tension: 41.94 dyne/cm; (15)Enthalpy of Vaporization: 51.418 kJ/mol; (16)Boiling Point: 230.142 °C at 760 mmHg; (17)Vapour Pressure: 0.024 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(N)CC(O)=O
(2)InChI: InChI=1/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
(3)InChIKey: QFRURJKLPJVRQY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
(5)Std. InChIKey: QFRURJKLPJVRQY-UHFFFAOYSA-N