1,3-Diamino-2-propanol，wetted with＜10% Water - ≥97% , CAS No.616-29-5

CAS: 616-29-5 Cat. No.: D501346 Peso molecular: 90.12 Beilstein Registry Number: 741859 Número EC: 210-474-2

GRADE & PURITY ≥97%

Synonyms

1,3-diamino-2-hydroxy propane | DTXSID3060663 | (3-AMINO-2-HYDROXYPROPYL)AMINE | EINECS 210-474-2 | NSC6070 | NSC-6070 | 2-PROPANOL, 1,3-DIAMINO- | STL146476 | 1,3-Diamino-2-propanol, purum, >=98.0% (GC) | AM20100500 | UNII-L59259H635 | 2-Hydroxy-1,3-diam

Storage

Argon charged,Room temperature

Descripción general

Product Description：
1,3-Diamino-2-propanol is a versatile bidentate diamine ligand which is used in the synthesis of a variety of organometallic compounds. · It is a precursor to synthesize the fluorogenic dsDNA binder, N1,N3-bis(4-amidinophenyl)propane-1,3-diamine (BAPPA). · It can also be used as a branching unit in the synthesis of peptide dendrimers.

Specifications

Sinónimos

1, 3-diamino-2-hydroxy propane | DTXSID3060663 | (3-AMINO-2-HYDROXYPROPYL)AMINE | EINECS 210-474-2 | NSC6070 | NSC-6070 | 2-PROPANOL, 1, 3-DIAMINO- | STL146476 | 1, 3-Diamino-2-propanol, purum, >=98.0% (GC) | AM20100500 | UNII-L59259H635 | 2-Hydroxy-1, 3-diam

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(C(CN)O)N
• IUPAC Name: 1,3-diaminopropan-2-ol
• InChIKey: UYBWIEGTWASWSR-UHFFFAOYSA-N
• INCHI: 1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
• Isómeros SMILES: C(C(CN)O)N
• WGK Alemania: 3
• Peso molecular: 90.12
• Beilstein: 741859
• Reaxy-Rn: 741859
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741859&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Secondary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descripción: 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 acción

Propiedades químicas y físicas

• Solubilidad: souble in water
• Sensibilidad: Hygroscopic
• Punto de ebullición (°C): 114°C/5mmHg
• Punto de fusión (°C): 42°C
• Peso molecular: 90.120 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.0793 Da
• Monoisotopic Mass: 90.0793 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• 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

Referencias

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