Diethylglycine - ≥97% , CAS No.1606-01-5

CAS: 1606-01-5 Cat. No.: D349671 分子式: C₆H₁₃NO₂ 分子量: 131.18 EC番号: 216-520-8

GRADE & PURITY ≥97%

Synonyms

HY-W051299 | DIETHYLGLYCINE HYDROCHLORIDE | o-Cresol, 4-chloro- | BB 0258421 | J-009737 | HMS1698H09 | UNII-GWC379GNX7 | SCHEMBL120640 | 2-(diethylamino)acetic acid | CHEBI:80633 | Diethylaminoacetic acid | Diethylamino-acetic acid | FT-0629474 | N,N-Diet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

HY-W051299 | DIETHYLGLYCINE HYDROCHLORIDE | o-Cresol, 4-chloro- | BB 0258421 | J-009737 | HMS1698H09 | UNII-GWC379GNX7 | SCHEMBL120640 | 2-(diethylamino)acetic acid | CHEBI:80633 | Diethylaminoacetic acid | Diethylamino-acetic acid | FT-0629474 | N,N-Diet

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528769349

カノニカル・スマイル

CCN(CC)CC(=O)O

IUPAC Name

2-(diethylamino)acetic acid

InChIKey

SGXDXUYKISDCAZ-UHFFFAOYSA-N

INCHI

1S/C6H13NO2/c1-3-7(4-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)

異性体SMILES

CCN(CC)CC(=O)O

分子量

131.18

Reaxy-Rn

1751514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: non-proteinogenic alpha-amino acid

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

化学的性質と物理的性質

• 感度: Hygroscopic
• 屈折率: n20D1.46 (Predicted)
• 沸点（°C）: 203.24° C at 760 mmHg (Predicted)
• 融点（°C）: 245.82° C (Predicted)
• 分子量: 131.170 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 131.095 Da
• Monoisotopic Mass: 131.095 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1