Basic information
- Name:
Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1)
- Superlist Name:
- 5-Aminolevulinic acid hydrochloride
- CAS No.:
5451-09-2
- Molecular Structure:
- Formula:
- C5H10ClNO3
- Molecular Weight:
- 167.59
- Synonyms:
- Levulinicacid, 5-amino-, hydrochloride (8CI);Pentanoic acid, 5-amino-4-oxo-,hydrochloride (9CI);5-Amino-4-oxopentanoic acid hydrochloride;Aminolevulinic acid hydrochloride;Levulan Kerastick;Unguentum-M;d-Aminolevulinicacid hydrochloride;5-Aminolevulinicacid hydrochloride;
- EINECS:
- 226-679-5
- Melting Point:
- 156-158 °C
- Boiling Point:
- 298.4 °C at 760 mmHg
- Flash Point:
- 134.3 °C
- Solubility:
- 50 mg/mL in water
- Appearance:
- white to pale yellow crystals
- Hazard Symbols:
Xi, 
Xn- Risk Codes:
- 36/37/38-66-20/21/22
- Safety Description:
- 26-36/37-37/39-36 Details
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Specification
The Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1), with the cas register number 5451-09-2, has the IUPAC name of 5-amino-4-oxopentanoic acid hydrochloride. Besides, it is a kind of white to pale yellow crystal, and it is hygroscopic. What's more, its product categories are various, including active pharmaceutical ingredients; fluorobenzene; fatty & aliphatic acids, esters, alcohols & derivatives; aliphatics; carboxylic acids; organic acids; miscellaneous; porphyrins; precursers; plant growth trgulators (others); biochemistry; plant growth regulators; dextrins, sugar & carbohydrates; carboxylic acids; non-natural amino acids.
The characteristics of this chemical are as following: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 4; (5)Exact Mass: 167.034921; (6)MonoIsotopic Mass: 167.034921; (7)Topological Polar Surface Area: 80.4; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 121; (11)Covalently-Bonded Unit Count: 2.
Producing method of Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1): piperidine-2,5-dione could react to produce Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1), in the following condtion: reagent: conc. HCl; reaction time: 12 hours; field: 51%.
Use of Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1): Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1) could react to produce 3-(5-aminomethyl-4-carboxymethyl-pyrrol-3-yl)-propionic acid, in the following condtion: reagent: 2-mercaptoethanol, aq. potassium phosphate; catalytic agent: 5-aminolevulinate dehydratase; field: 51%; other condition: 1.) 37 deg C, 6 h, 2.) pH 8.0, 0-4 deg C, overnight.
When you are dealing with this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. Then it is harmful if by inhalation, in contact with skin and if swallowed, and may cause inflammation to the skin or other mucous membranes, and may cause damage to health. What's more, repeated exposure may cause skin dryness or cracking. So you had better take the following instructions while using. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could obtain the molecular structure through converting the following datas:
(1)Canonical SMILES: C(CC(=O)O)C(=O)CN.Cl
(2)InChI: InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H
(3)InChIKey: ZLHFONARZHCSET-UHFFFAOYSA-N