3D Mol Similar

L(+)-Asparagine monohydrate

: Iupac Name：(2S)-2,4-diamino-4-oxobutanoic acid;hydrate; CAS No.: 5794-13-8; Molecular Weight：150.134; Modify Date.: 2022-11-29 07:37; Introduction: L-Asparagine is a naturally occurring amino acid that is not an essential for humans and can be synthesized from central metabolic pathway intermediates. L(+)-Asparagine monohydrate Preparation Products And Raw materials Preparation Products View more+

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1. Names and Identifiers

: 1.1 Name; L(+)-Asparagine monohydrate; 1.2 Synonyms; (2R)-2,4-Diamino-4-oxobutanoic acid hydrate Aminoplasmal Asparagen ASPARAGINE H2O D-Asparagine hydrate D-Asparagine hydrate (1:1) D-Asparagine, hydrate (1:1) EINECS 200-735-9 h-asn-oh.h H-Asn-OH.H2O H-L-ASN-OH H2O L-ASN H2O L-Asp.H2O L-Asparagin,Monohydrat L-ASPARAGINE H20 L-ASPARAGINE H2O L-asparagine hydrate MFCD00151038; View all

1.3 CAS No.: 5794-13-8

1.4 CID: 170358

1.5 EINECS(EC#): 611-593-6; 200-735-9

1.6 Molecular Formula: C4H10N2O4 (isomer)

1.7 Inchi: InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1

1.8 InChIkey: RBMGJIZCEWRQES-DKWTVANSSA-N

1.9 Canonical Smiles: C(C(C(=O)O)N)C(=O)N.O

1.10 Isomers Smiles: C([C@@H](C(=O)O)N)C(=O)N.O

2. Properties

2.1 Density: 1,543

2.1 Melting point: 233-235℃

2.1 Boiling point: 438 °C at 760 mmHg

2.1 Refractive index: 31 ° (C=10, HCl)

2.1 Flash Point: 218.7°C

2.1 Precise Quality: 150.06400

2.1 PSA: 115.64000

2.1 logP: -0.39000

2.1 Solubility: H2O: 20?mg/mL

2.2 Appearance: White to Off-white powder

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: White or almost white, crystalline powder or colourless crystals.

2.5 Color/Form: Orthorhombic bisphenoidal crystals

2.6 Decomposition: When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

2.7 PH: 4.0-5.5 (20g/l, H2O, 20℃)

2.8 pKa: pKa1 = 2.02; pKa2 = 8.80

2.9 Water Solubility: H2O: 30 g/L (20 oC)

2.10 Stability: Stable under normal temperatures and pressures.

2.11 StorageTemp: Store at 0-5°C

3. Use and Manufacturing

3.1 Methods of Manufacturing: Produced by direct fermentation of carbohydrates

3.2 Usage: L-Asparagine is a naturally occurring amino acid that is not an essential for humans and can be synthesized from central metabolic pathway intermediates. L(+)-Asparagine monohydrate Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Hazard Codes: Xn

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S24/25

4.1 RIDADR: NONH for all modes of transport

4.1 WGK Germany: 3

4.1 Safety: Hazard Codes?:?Xn
Risk Statements:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed?
R36/37/38 :Irritating to eyes, respiratory system and skin
Safety Statements:
S24/25:Avoid contact with skin and eyes?
S36:Wear suitable protective clothing?
S26 :In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

4.2 Specification: ?L(+)-Asparagine monohydrate , its cas register number is 5794-13-8. It also can be called L-Asparagine hydrate ; L-2-Aminosuccinamic acid hydrate ; and Asparagine monohydrate . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
In addition, L(+)-Asparagine monohydrate (CAS NO.5794-13-8) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products:?Nitrogen oxides, carbon monoxide, carbon dioxide.; View all

4.3 Toxicity: ?L(+)-Asparagine monohydrate (CAS NO.5794-13-8) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. NMR Spectrum

13C NMR : in D2O (PH 1.59)

13C NMR : in D2O (PH 7.67)

13C NMR : in D2O (PH 9.43)

Raman : 4880 A,200 M,powder

Mass

7. Other Information

7.0 Usage: L-Asparagine is a naturally occurring proteinogenic amino acid, used in biomanufacturing cell culture systems for the production of therapeutic recombinant proteins and monoclonal antibodies. It is used in the biosynthesis of proteins. It is also required for development and function of the brain.

7.1 Usage: It is used as an isotopically labeled biochemical for proteomics research. It is suitable for all food, beverage and nutritional supplement applications.

8. Computational chemical data

Molecular Weight: 150.134g/mol
Molecular Formula: C₄H₁₀N₂O₄
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 150.06405680
Monoisotopic Mass: 150.06405680
Complexity: 134
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 107
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAAGQGAAAAAAAAAAAAIGAAAACABgAwAAAQAAEEAAAAAAnAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Question & Answer

What are the synthesis, applications, and references of L(+)-Asparagine monohydrate? Jun 28 2023
Introduction L(+)-Asparagine monohydrate and its derivatives are important organic structural units widely used in the synthesis of drugs, food additives, and new materials. The amino, carboxyl, and a..

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