Alanine anhydride - ≥99% , CAS No.5625-46-7

CAS: 5625-46-7 Cat. No.: A101171 Summenformel: C₆H₁₀N₂O₂ Molekulargewicht: 142.16 EG-Nummer: 227-058-1

GRADE & PURITY ≥99%

Synonyms

dl-Alanine anhydride | AKOS005423713 | J-640174 | SY107292 | BRN 0082120 | SCHEMBL764361 | 2, 3,6-dimethyl- | Ammonium chloroplatinate(II) | DS-6071 | dl-2-aminopropionic anhydride | A830977 | MFCD00023153 | 3,6-Dimethylpiperazine-2,5-dione | C.i. basic B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

dl-Alanine anhydride | AKOS005423713 | J-640174 | SY107292 | BRN 0082120 | SCHEMBL764361 | 2, 3,6-dimethyl- | Ammonium chloroplatinate(II) | DS-6071 | dl-2-aminopropionic anhydride | A830977 | MFCD00023153 | 3,6-Dimethylpiperazine-2,5-dione | C.i. basic B

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488187069

Kanonisches Lächeln

CC1C(=O)NC(C(=O)N1)C

IUPAC Name

3,6-dimethylpiperazine-2,5-dione

InChIKey

WWISPHBAYBECQZ-UHFFFAOYSA-N

INCHI

1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)

Isomere SMILES

CC1C(=O)NC(C(=O)N1)C

WGK Deutschland

3

RTECS

TL6380150

Molekulargewicht

142.16

Reaxy-Rn

82120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 2,5-dioxopiperazines Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - 1,4-diazinane - Piperazine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 283-285°C
• Molekulargewicht: 142.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074 Da
• Monoisotopic Mass: 142.074 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1