(±)-3-Amino-1,2-propanediol - ≥97% , CAS No.616-30-8

CAS: 616-30-8 Cat. No.: A107504 Peso molecular: 91.11 Beilstein Registry Number: 1719121 Número EC: 210-475-8

GRADE & PURITY ≥97%

Synonyms

(R/S)-3-aminopropane-1,2-diol | (RS)-3-amino-1,2-propanediol | J-502215 | racemic 3-amino-1,2-propanediol | 1,2-Propanediol, 3-amino- | aminopropan-2,3-diol | N-Methyl-N-phenylnitrosamine | 2,3-dihydroxy-1-propylamine | amino-2,3-propanediol | isoserinol

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

(±)-3-Amino-1,2-propanediol is used as a reactant in the synthesis of lipid-like delivery molecules(lipidoids) for RNA interference (RNAi) therapeutics. It is also used in the synthesis of the bioactive template to prepare cationic α-helical polypeptides and various cationic polymers for gene delivery.

Specifications

Sinónimos

(R/S)-3-aminopropane-1, 2-diol | (RS)-3-amino-1, 2-propanediol | J-502215 | racemic 3-amino-1, 2-propanediol | 1, 2-Propanediol, 3-amino- | aminopropan-2, 3-diol | N-Methyl-N-phenylnitrosamine | 2, 3-dihydroxy-1-propylamine | amino-2, 3-propanediol | isoserinol

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184784
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184784
• Sonrisas canónicas: C(C(CO)O)N
• IUPAC Name: 3-aminopropane-1,2-diol
• InChIKey: KQIGMPWTAHJUMN-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
• Isómeros SMILES: C(C(CO)O)N
• WGK Alemania: 2
• RTECS: TY2800000
• Número ONU: 2735
• Peso molecular: 91.11
• Beilstein: 1719121
• Reaxy-Rn: 1719121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Secondary alcohols 1,2-diols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-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 C3 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

Propiedades químicas y físicas

• Solubilidad: Miscible with water.
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.492
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 155°C
• Punto de ebullición (°C): 264-265 °C/739 mmHg
• Peso molecular: 91.110 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 91.0633 Da
• Monoisotopic Mass: 91.0633 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.000
• 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

Referencias

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