4-AMINOBUTYRAMIDE, HYDROCHLORIDE

The Butanamide, 4-amino-,hydrochloride (1:1), with the CAS registry number of 13031-62-4, is also known as 4-Aminobutyramide monohydrochloride. It belongs to the product categories of All Aliphatics; Aliphatics; Amino Acids & Derivatives; Inhibitors. Its EINECS registry number is 235-895-9. Its molecular formula is C₄H₁₁ClN₂O and molecular weight is 138.59594. What's more, its IUPAC name is 4-Aminobutanamide hydrochloride.

Physical properties about the Butanamide, 4-amino-,hydrochloride (1:1) are: (1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.66; (4)ACD/LogD (pH 7.4): -3.81; (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: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å²; (13)Flash Point: 135.7 °C; (14)Enthalpy of Vaporization: 54.09 kJ/mol; (15)Boiling Point: 300.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0011 mmHg at 25 °C.

Preparation: this chemical is prepared by 3-Cyano-propionic acid amide. The reaction needs reagents H₂, HCl and solvent Ethanol. The reaction time is 3 h with reaction temperature of 30 °C. The yield is about 73 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Progabide. This reaction needs reagent NaOMe. Meanwhile, it needs solvent Methanol. The yield is about 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(N)CCCN
(2) InChI: InChI=1/C4H10N2O.ClH/c5-3-1-2-4(6)7;/h1-3,5H2,(H2,6,7);1H
(3) InChIKey: MVEPJLNIXKEKMI-UHFFFAOYAF