2-Benzoxazoleethanamine , CAS No.623553-29-7

CAS: 623553-29-7 Cat. No.: B669227 Summenformel: C₉H₁₀N₂O Molekulargewicht: 162.19 PubChem CID: 23008875

Synonyms

2-Benzoxazoleethanamine | 2-(1,3-benzoxazol-2-yl)ethanamine | 2-(1,3-benzoxazol-2-yl)ethan-1-amine | DTXSID101313790 | AKOS004123417 | 2-(Benzo[d]oxazol-2-yl)ethan-1-amine | 2-(1,3-Benzoxazol-2-yl)-1-ethanamine | EN300-95795 | 2-(1,3-Benzoxazol-2-yl)ethan

Storage

Room temperature

Specifications

Synonyme

2-Benzoxazoleethanamine | 2-(1,3-benzoxazol-2-yl)ethanamine | 2-(1,3-benzoxazol-2-yl)ethan-1-amine | DTXSID101313790 | AKOS004123417 | 2-(Benzo[d]oxazol-2-yl)ethan-1-amine | 2-(1,3-Benzoxazol-2-yl)-1-ethanamine | EN300-95795 | 2-(1,3-Benzoxazol-2-yl)ethan

Storage

Room temperature

Produkteigenschaften

ALogP

1.1

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C2C(=C1)N=C(O2)CCN

IUPAC Name

2-(1,3-benzoxazol-2-yl)ethanamine

InChIKey

JZCFAEORPFKPGL-UHFFFAOYSA-N

INCHI

1S/C9H10N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2

Isomere SMILES

C1=CC=C2C(=C1)N=C(O2)CCN

PubChem CID

23008875

Molekulargewicht

162.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: 2-arylethylamines Aralkylamines Benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - 2-arylethylamine - Aralkylamine - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
• 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

Zugehörige Ziele (menschlich)

LOXL2 Tchem Lysyl oxidase homolog 2 (2 Activities)

Discover Target: LOXL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 162.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 162.079 Da
• Monoisotopic Mass: 162.079 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 623553-29-7, the molecular formula is C9H10N2O, and the molecular weight is 162.19 g/mol. InChIKey JZCFAEORPFKPGL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.