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5451-09-2

Basic Information
CAS No.: 5451-09-2
Name: Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1)
Article Data: 40
Cas Database
Molecular Structure:
Molecular Structure of 5451-09-2 (Pentanoicacid, 5-amino-4-oxo-, hydrochloride (1:1))
Formula: C5H10ClNO3
Molecular Weight: 167.592
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
Density: N/A
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: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-66-20/21/22
Safety: 26-36/37-37/39-36
Transport Information: N/A
PSA: 80.39000
LogP: 0.71540
Synthetic route
92632-81-0

5-phthalimidyl levulinic acid

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water for 6h; Reflux;96.6%
With hydrogenchloride In water for 10h; Reflux;85%
With hydrogenchloride In water for 16h; Reflux;83%
With hydrogenchloride for 8h; Heating;63.8%
93393-93-2

N-acetyl-5-aminolevulinic acid methyl ester

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride at 100℃;95%

ethyl 5-nitro-4-oxopentanoate

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; water; hydrogen; palladium on activated charcoal under 1137.73 Torr;94%
109258-71-1

methyl 5-(1,3-dioxoisoindolin-2-yl)-4-oxopentanoate

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride for 10h; Heating;92%
With hydrogenchloride 1.) water, reflux, 10 h, 2.) acetone, 60-70 deg C; Yield given. Multistep reaction;
With hydrogenchloride In water
With hydrogenchloride; water85 %Chromat.
102872-00-4

benzoylaminolevulinic acid

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In water for 12h; Reflux;92%

C12H22N4O2

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
Stage #1: C12H22N4O2 With sodium hypochlorite; sodium hydroxide In water at 0℃; for 2h;
Stage #2: With hydrogenchloride In water for 0.5h; pH=1;
86.9%

C9H15NO5

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride at 100℃; Industrial scale;86.5%
222641-36-3

dimethyl 2-(acetylamino)-3-oxohexanedioate

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; water for 4h; Heating;85%
839724-53-7

diethyl 2-acetylamino-3-oxohexanedioate

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethyl acetate for 4h; Heating / reflux;82%

methyl 5-nitro-4-oxopentanoate

5451-09-2

5-aminolevulinic acid hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; zinc In water at 110℃; for 45h; Reagent/catalyst; Temperature;80%
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  • Casno:

    5451-09-2

    Aminolevulinic acid Hydrochloride

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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