5-AMINOVALERIC ACID HYDROCHLORIDE

The Pentanoic acid, 5-amino-, hydrochloride (1:1), with the CAS registry number of 627-95-2, is also known as 5-Aminopentanoicacid﹒HCl and 4-Carboxybutylammonium chloride. It belongs to the product categories of Omega-Aminocarboxylic Acids; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides. Its EINECS registry number is 211-021-1. This chemical's molecular formula is C₅H₁₂ClNO₂ and molecular weight is 153.61. What's more, its IUPAC name is 5-Aminopentanoic acid hydrochloride. In addition, it should be stored in dry, cool, airtight place. It can not contact with oxidant, moisture, otherwise it would decompose.

Physical properties about Pentanoic acid, 5-amino-, hydrochloride (1:1) are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -2.84; (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: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 103.5 °C; (14)Enthalpy of Vaporization: 53.37 kJ/mol; (15)Boiling Point: 247.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00825 mmHg at 25 °C; (17)Melting Point: 95-97 °C(lit. ).

Preparation: this chemical is prepared by 5-(Methoxycarbonylamino)valeriansaeure-methylester. This reaction needs reagents conc. HCl and 100% HCOOH. Meanwhile, it needs solvent H₂O. The reaction time is 24 hours with reaction temperature of 125 °C. The yield is about 96 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-Amino-pentanoic acid benzyl ester, hydrochloride at heating. This reaction needs reagent 4-Toluenesulfonic acid monohydrate. The yield is about 96 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(O)CCCCN
(2) InChI: InChI=1/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H
(3) InChIKey: BLOIUFYKQCCAGP-UHFFFAOYAF