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| CAS No.: | 80-60-4 |
|---|---|
| Name: | DL-2-AMINOBUTYRIC ACID |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | DL-2-Amino-n-butyric acid;DL-alpha-Amino-n-butyric acid;alpha-Aminobutyric acid;Butyric acid, 2-amino-, DL- (8CI); |
| EINECS: | 201-296-6 |
| Density: | 1.106 g/cm3 |
| Melting Point: | 291 °C (dec.)(lit.) |
| Boiling Point: | 215.166 °C at 760 mmHg |
| Flash Point: | 83.93 °C |
| Solubility: | 167.40g/L(25 oC) |
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 0.50860 |
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Specification
The 2-Aminobutyric acid, with the CAS registry number 80-60-4, is also known as DL-2-Amino-n-butyric acid. Its EINECS number is 201-296-6. This chemical's molecular formula is C4H9NO2 and molecular weight is 103.12. What's more, its systematic name is 2-Aminobutanoic acid. You should not breathe dust. When using it, you must avoid contact with skin and eyes.
Physical properties of 2-Aminobutyric acid are: (1)ACD/LogP: -0.064; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 25.639 cm3; (15)Molar Volume: 93.242 cm3; (16)Polarizability: 10.164×10-24cm3; (17)Surface Tension: 43.53 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 83.93 °C; (20)Enthalpy of Vaporization: 49.751 kJ/mol; (21)Boiling Point: 215.166 °C at 760 mmHg; (22)Vapour Pressure: 0.058 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-azido-butyric acid. This reaction will need reagent H2. This reaction will also need catalyst Pd-C. The yield is about 76%.
Uses of 2-Aminobutyric acid: it can be used to produce 2-chloro-butyric acid at the ambient temperature. It will need reagents pyridinium polyhydrogen fluoride, KCl, NaNO2 with the reaction time of 72 hours. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CC
(2)Std. InChI: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
(3)Std. InChIKey: QWCKQJZIFLGMSD-UHFFFAOYSA-N