1,3-Diamino-2-propanol - ≥97% , CAS No.616-29-5

CAS: 616-29-5 Cat. No.: D121823 Molecular Weight: 90.12 Beilstein Registry Number: 741859 EC Number: 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

Shipped In

Normal

Overview

· 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

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

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183449
• Canonical Smiles: 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
• Isomeric SMILES: C(C(CN)O)N
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Very soluble in water.
• Sensitivity: Hygroscopic
• Boil Point(°C): 114°C/5mmHg
• Melt Point(°C): 42°C
• Molecular Weight: 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

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