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CAS No.: | 3775-73-3 |
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Name: | (R)-3-AMINOBUTYRIC ACID |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C4H9NO2 |
Molecular Weight: | 103.121 |
Synonyms: | Butanoicacid, 3-amino-, (R)-;Butyric acid, 3-amino-, D- (8CI);(-)-3-Aminobutanoicacid;(-)-3-Aminobutyric acid;(R)-(-)-3-Aminobutyric acid;(R)-3-Aminobutanoicacid;(R)-b-Aminobutanoic acid;D-3-Aminobutanoic acid;D-3-Aminobutyric acid;D-b-Aminobutyric acid; |
Density: | 1.105 g/cm3 |
Melting Point: | 215-216 °C |
Boiling Point: | 223.6 °C at 760 mmHg |
Flash Point: | 89 °C |
PSA: | 63.32000 |
LogP: | 0.50860 |
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This chemical is called Butanoic acid, 3-amino-, (3R)-, and its systematic name is (3R)-3-aminobutanoic acid. With the molecular formula of C4H9NO2, its molecular weight is 103.12. The CAS registry number of this chemical is 3775-73-3.
Other characteristics of the Butanoic acid, 3-amino-, (3R)- can be summarised as followings: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 25.63 cm3; (13)Molar Volume: 93.2 cm3; (14)Polarizability: 10.16×10-24cm3; (15)Surface Tension: 43.5 dyne/cm; (16)Density: 1.105 g/cm3; (17)Flash Point: 89 °C; (18)Enthalpy of Vaporization: 50.68 kJ/mol; (19)Boiling Point: 223.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0352 mmHg at 25°C.
Production method of this chemical: The Butanoic acid, 3-amino-, (3R)- could be obtained by the reactant of (R)-3-(dibenzylamino)butanoic acid. This reaction needs the reagent of H2, and the solvent of methanol. The yield is 94 %. In addition, this reaction should be taken for 3 hours at the ambient temperature.
Uses of this chemical: The Butanoic acid, 3-amino-, (3R)- could react with trifluoroacetic acid ethyl ester, and obtain the R(+)-3-(trifluoroacetamido)butanoic acid. This reaction needs the reagent of Et3N, and the solvent of methanol. The yield is 97 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C[C@H](N)C
2.InChI: InChI=1/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
3.InChIKey: OQEBBZSWEGYTPG-GSVOUGTGBL