DL-アラニノール - ≥98% , CAS No.6168-72-5

CAS: 6168-72-5 Cat. No.: A117165 分子式: C₃H₉NO 分子量: 75.11 Beilstein Registry Number: 1209234 EC番号: 228-207-3

グレード＆純度 ≥98%

Synonyms

EN300-29387 | (.+/-.)-2-Amino-1-propanol | DL-2-Aminopropanol | rac-2-amino-1-propanol | 1-Propanol, 2-amino- | EINECS 201-156-4 | FT-0624400 | NSC 1360 | 1-Propanol, 2-amino-, (S)- | 2-hydroxy-1-methylethylamine | AKOS000121886 | L-(+)-2-Amino propanol |

Storage

Argon charged,Room temperature

Shipped In

ノーマル

概要

DL-アラニノールは、以下の合成に使用されている：

- N6-α-(I-ヒドロキシプロピル)リジン

- DL-β-アミノアルコールのジアステレオマー

- 2-メチル-N-トシラジリジンのエナンチオピュアおよびラセミ体サンプル

- (±)-3-(5-ジメチルカルバモイル-ペント-1-エニル)-N-(2-ヒドロキシ-1-メチル-エチル)ベンズアミド

仕様

同義語

EN300-29387 | (.+/-.)-2-Amino-1-propanol | DL-2-Aminopropanol | rac-2-amino-1-propanol | 1-Propanol, 2-amino- | EINECS 201-156-4 | FT-0624400 | NSC 1360 | 1-Propanol, 2-amino-, (S)- | 2-hydroxy-1-methylethylamine | AKOS000121886 | L-(+)-2-Amino propanol |

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488179878

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488179878

カノニカル・スマイル

CC(CO)N

IUPAC Name

2-aminopropan-1-ol

InChIKey

BKMMTJMQCTUHRP-UHFFFAOYSA-N

INCHI

1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3

異性体SMILES

CC(CO)N

WGKドイツ

3

UN番号

2735

包装グループ

I

分子量

75.11

Beilstein

1209234

Reaxy-Rn

1209234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209234&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: a small molecule

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Fully miscible in water.
• 感度: Moisture & air sensitive
• 屈折率: 1.448-1.451
• 比旋光度［α］: [α]/D +1.0 to −1.0°
• 引火点（°F）: 183.2 °F
• 引火点（°C）: 83°C
• 沸点（°C）: 173-176°C
• 融点（°C）: 8°C
• 分子量: 75.110 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 75.0684 Da
• Monoisotopic Mass: 75.0684 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1