2-methyloxan-4-amine - ≥97% , CAS No.89584-06-5

CAS: 89584-06-5 Cat. No.: M178069 Summenformel: C₆H₁₃NO Molekulargewicht: 115.1735 EG-Nummer: 809-631-3

GRADE & PURITY ≥97%

Synonyms

2-Methyl-tetrahydro-2H-pyran-4-amine | 2-Methyltetrahydro-2H-pyran-4-amine | AKOS013423448 | SB39692 | AS-53036 | A861132 | AMY5952 | EN300-124625 | P16002 | 4-amino-2-methyltetrahydropyran | QPXXGRHIYAAMDU-UHFFFAOYSA-N | tetrahydro-2-methyl-2H-pyran-4-am

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Methyl-tetrahydro-2H-pyran-4-amine | 2-Methyltetrahydro-2H-pyran-4-amine | AKOS013423448 | SB39692 | AS-53036 | A861132 | AMY5952 | EN300-124625 | P16002 | 4-amino-2-methyltetrahydropyran | QPXXGRHIYAAMDU-UHFFFAOYSA-N | tetrahydro-2-methyl-2H-pyran-4-am

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC1CC(CCO1)N

IUPAC Name

2-methyloxan-4-amine

InChIKey

QPXXGRHIYAAMDU-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3

Isomere SMILES

CC1CC(CCO1)N

Molekulargewicht

115.1735

Reaxy-Rn

1236392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 115.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1