N-(3-Aminopropyl)diethanolamine - ≥90% , CAS No.4985-85-7

CAS: 4985-85-7 Cat. No.: A102524 Molecular Weight: 162.23 Beilstein Registry Number: 4(3)720 EC Number: 225-642-0

GRADE & PURITY ≥90%

Synonyms

2,2'-[(3-Aminopropyl)imino]diethanol | Aminopropyldiethanolamine | (3-Aminopropyl)diethanolamine | Ethanol, 2,2'-[(3-aminopropyl)imino]bis- | N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane | N-(3-Aminopropyl)diethanolamine | 2-[3-aminopropyl(2-hydroxyethyl)am

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N-(3-Aminopropyl)diethanolamine acts as a potential coreactant for enhancing tris(2,2’-bipyridyl)ruthenium(II) electrochemiluminescence.

Specifications

Synonyms

2, 2'-[(3-Aminopropyl)imino]diethanol | Aminopropyldiethanolamine | (3-Aminopropyl)diethanolamine | Ethanol, 2, 2'-[(3-aminopropyl)imino]bis- | N, N-Bis(2-hydroxyethyl)-1, 3-diaminopropane | N-(3-Aminopropyl)diethanolamine | 2-[3-aminopropyl(2-hydroxyethyl)am

Specifications & Purity

≥90%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504753018
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753018
• Canonical Smiles: C(CN)CN(CCO)CCO
• IUPAC Name: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
• InChIKey: FKJVYOFPTRGCSP-UHFFFAOYSA-N
• INCHI: 1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
• Isomeric SMILES: C(CN)CN(CCO)CCO
• UN Number: 3267
• Packing Group: I
• Molecular Weight: 162.23
• Beilstein: 4(3)720
• Reaxy-Rn: 635838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635838&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: Trialkylamines Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - 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: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Refractive Index: 1.49
• Flash Point(°C): 138°C
• Boil Point(°C): 207°C
• Molecular Weight: 162.230 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 162.137 Da
• Monoisotopic Mass: 162.137 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 74.800
• 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