2-(Isopropylamino)ethanol - ≥99% , CAS No.109-56-8

CAS: 109-56-8 Cat. No.: I157482 Molecular Weight: 103.17 Beilstein Registry Number: 4(3)681 EC Number: 203-681-4

GRADE & PURITY ≥99%

Synonyms

AI3-24220 | SCHEMBL143017 | Y8L7KC6HUB | FT-0612715 | ETHANOL, 2-(ISOPROPYLAMINO)- | 2-(Isopropylamino)ethanol | 2-(isopropylamino)-ethanol | BRN 1633453 | 2-[(propan-2-yl)amino]ethan-1-ol | Ethanol, 2-((1-methylethyl)amino)- | A802053 | 2-(Isopropylamino

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-​(Isopropylamino)​ethanol is used in the synthesis of potent and selective 5HT2C receptor agonists.

Specifications

Synonyms

AI3-24220 | SCHEMBL143017 | Y8L7KC6HUB | FT-0612715 | ETHANOL, 2-(ISOPROPYLAMINO)- | 2-(Isopropylamino)ethanol | 2-(isopropylamino)-ethanol | BRN 1633453 | 2-[(propan-2-yl)amino]ethan-1-ol | Ethanol, 2-((1-methylethyl)amino)- | A802053 | 2-(Isopropylamino

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180642
• Canonical Smiles: CC(C)NCCO
• IUPAC Name: 2-(propan-2-ylamino)ethanol
• InChIKey: RILLZYSZSDGYGV-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3
• Isomeric SMILES: CC(C)NCCO
• RTECS: KL5080000
• UN Number: 1987
• Packing Group: I
• Molecular Weight: 103.17
• Beilstein: 4(3)681
• Reaxy-Rn: 1633453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633453&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: Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - 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: Air Sensitive
• Refractive Index: 1.44
• Flash Point(°F): 76°C(lit.)
• Flash Point(°C): 76°C(lit.)
• Boil Point(°C): 171°C
• Molecular Weight: 103.160 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.1 Da
• Monoisotopic Mass: 103.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.100
• 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