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CAS No.: | 13031-62-4 |
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Name: | 4-AMINOBUTYRAMIDE, HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H11ClN2O |
Molecular Weight: | 138.597 |
Synonyms: | 4-Aminobutyramide monohydrochloride; |
EINECS: | 235-895-9 |
Melting Point: | 126-129 °C |
Boiling Point: | 300.8 °C at 760 mmHg |
Flash Point: | 135.7 °C |
PSA: | 69.11000 |
LogP: | 1.41320 |
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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