D-2-Aminobutyric acid supplier

Name
D-2-Aminobutyric acid
EINECS 220-084-4
CAS No. 2623-91-8
Article Data62
CAS DataBase
Density 1.105 g/cm³
Solubility soluble in water
Melting Point 300 °C
Formula C₄H₉NO₂
Boiling Point 215.2 °C at 760 mmHg
Molecular Weight 103.121
Flash Point 83.9 °C
Transport Information
Appearance white crystalline powder
Safety 22-24/25
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
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;
PSA
LogP

D-2-Aminobutyric acid Specification

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

Product Name

D-2-Aminobutyric acid

D-2-Aminobutyric acid Specification

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