Ethanolamine - ACS, ≥99% , CAS No.141-43-5

CAS: 141-43-5 Cat. No.: E103810 Formula: C₂H₇NO Molecular Weight: 61.08 Beilstein Registry Number: 505944 EC Number: 205-483-3

GRADE & PURITY ACS, ≥99%

Synonyms

1219802-89-7 | 2 Aminoethanol | 2 -aminoethanol | colamine | ethanolamin | Glycinol (monoethanolamine) | TROLAMINE IMPURITY A (EP IMPURITY) | beta-Aminoethyl alcohol | Caswell No. 426 | DTXCID202000 | Monoaethanolamin | 1-Amino-2-hydroxyethane | 3-phenyl-

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

1219802-89-7 | 2 Aminoethanol | 2 -aminoethanol | colamine | ethanolamin | Glycinol (monoethanolamine) | TROLAMINE IMPURITY A (EP IMPURITY) | beta-Aminoethyl alcohol | Caswell No. 426 | DTXCID202000 | Monoaethanolamin | 1-Amino-2-hydroxyethane | 3-phenyl-

Specifications & Purity

ACS, ≥99%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Grade

ACS

Purity

≥99%

Names and Identifiers

Pubchem Sid

508811994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811994

Canonical Smiles

C(CO)N

IUPAC Name

2-aminoethanol

InChIKey

HZAXFHJVJLSVMW-UHFFFAOYSA-N

INCHI

1S/C2H7NO/c3-1-2-4/h4H,1-3H2

Isomeric SMILES

C(CO)N

WGK Germany

1

RTECS

KJ5775000

UN Number

2491

Packing Group

III

Molecular Weight

61.08

Beilstein

505944

Reaxy-Rn

505944

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505944&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: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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: 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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc6a8 Creatine transporter (104 Activities)

Discover Target: Slc6a8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc5a7 Choline transporter (45 Activities)

Discover Target: Slc5a7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.454
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 93 °C
• Boil Point(°C): 170°C
• Melt Point(°C): 10-11°C
• Molecular Weight: 61.080 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 61.0528 Da
• Monoisotopic Mass: 61.0528 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.000
• 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