(oxetan-3-yl)methanamine hydrochloride - ≥97% , CAS No.1427195-22-9

CAS: 1427195-22-9 Cat. No.: O174134 Peso molecular: 123.58

GRADE & PURITY ≥97%

Synonyms

Oxetan-3-ylmethanamine hydrochloride | SCHEMBL17288728 | SY098725 | SB10129 | 3-Oxetanemethanamine hydrochloride | (Oxetan-3-yl)methanamine HCl | (oxetan-3-yl)methanamine hydrochloride | CHC19522 | 3-AMINOMETHYLOXETANE HYDROCHLORIDE | Oxetan-3-ylmethanami

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oxetan-3-ylmethanamine hydrochloride | SCHEMBL17288728 | SY098725 | SB10129 | 3-Oxetanemethanamine hydrochloride | (Oxetan-3-yl)methanamine HCl | (oxetan-3-yl)methanamine hydrochloride | CHC19522 | 3-AMINOMETHYLOXETANE HYDROCHLORIDE | Oxetan-3-ylmethanami

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(CO1)CN.Cl
• IUPAC Name: oxetan-3-ylmethanamine;hydrochloride
• InChIKey: GDCFTYWDUIKPHB-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO.ClH/c5-1-4-2-6-3-4;/h4H,1-3,5H2;1H
• Isómeros SMILES: C1C(CO1)CN.Cl
• Peso molecular: 123.58
• Reaxy-Rn: 29235148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29235148&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 123.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.045 Da
• Monoisotopic Mass: 123.045 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 42.800
• 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: 2

XLogP3