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L(+)-Asparagine monohydrate structure
L(+)-Asparagine monohydrate structure

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+
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

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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?:?HarmfulXn
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.

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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

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
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