DL-Alaninol - ≥98% , CAS No.6168-72-5

CAS: 6168-72-5 Cat. No.: A117165 Fórmula: C₃H₉NO Peso molecular: 75.11 Beilstein Registry Number: 1209234 Número CE: 228-207-3

GRADE & PURITY ≥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

Room temperature,Argon charged

Shipped In

Normal

Visão geral

DL-Alaninol has been used in the synthesis of:

· N6-α-(I-hydroxypropyl) lysine

· diastereomers of DL-β-amino alcohols

· enantiopure and racemic samples of 2-methyl-N-tosylaziridine

· (±)-3-(5-dimethylcarbamoyl-pent-1-enyl)-N-(2-hydroxy-1-methyl-ethyl)benzamide

Specifications

Sinónimos

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 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488179878

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CC(CO)N

WGK Alemanha

3

Número UN

2735

Grupo de embalagem

I

Peso molecular

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Fully miscible in water.
• Sensibilidade: Moisture & air sensitive
• Índice de refração: 1.448-1.451
• Rotação específica [α]: [α]/D +1.0 to −1.0°
• Ponto de inflamação (°F): 183.2 °F
• Ponto de inflamação (°C): 83°C
• Ponto de ebulição (°C): 173-176°C
• Ponto de fusão (°C): 8°C
• Peso molecular: 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