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CAS No.: | 2623-91-8 |
---|---|
Name: | D-2-Aminobutyric acid |
Article Data: | 62 |
Molecular Structure: | |
Formula: | C4H9NO2 |
Molecular Weight: | 103.121 |
Synonyms: | Butanoicacid, 2-amino-, (R)-;Butyric acid, 2-amino-, D- (8CI);(-)-2-Aminobutyric acid;(2R)-2-Aminobutanoic acid;(R)-(-)-a-Aminobutyric acid;(R)-2-Aminobutyric acid;D-2-Amino-n-butyric acid;D-Butyrine;D-Ethylglycine;D-a-Aminobutyric acid; |
EINECS: | 220-084-4 |
Density: | 1.105 g/cm3 |
Melting Point: | 300 °C |
Boiling Point: | 215.2 °C at 760 mmHg |
Flash Point: | 83.9 °C |
Solubility: | soluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 22-24/25 |
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The IUPAC name of this chemical is (2R)-2-aminobutanoic acid. With the CAS registry number 2623-91-8, it is also named as Acide 2-aminobutanoïque. The product's categorie is Unusual Amino Acids. It is white crystalline powder which is soluble in water. And it can be used as pharmaceutical intermediate. Additionally, D-2-Aminobutyric acid is dangerous to people, so we should not breathe dust and avoid contact with skin and eyes. Moreover, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -2.65; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 25.63 cm3; (14)Molar Volume: 93.2 cm3; (15)Polarizability: 10.16×10-24 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Enthalpy of Vaporization: 49.75 kJ/mol; (18)Vapour Pressure: 0.0579 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 103.063329; (21)MonoIsotopic Mass: 103.063329; (22)Topological Polar Surface Area: 63.3; (23)Heavy Atom Count: 7; (24)Complexity: 72.1; (25)Defined Atom StereoCenter Count: 1.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C(N)CC
2. InChI:InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
3. InChIKey:QWCKQJZIFLGMSD-UHFFFAOYAG
4. Std. InChI:InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
5. Std. InChIKey:QWCKQJZIFLGMSD-UHFFFAOYSA-N