4-(aminomethyl)oxan-4-ol hydrochloride - ≥97% , CAS No.666261-01-4

CAS: 666261-01-4 Cat. No.: A177118 Peso molecular: 167.63 Número EC: 835-995-8

GRADE & PURITY ≥97%

Synonyms

DTXSID30720961 | SB22764 | A849131 | SCHEMBL427038 | 4-Aminomethyltetrahydro-4H-pyran-4-ol hydrochloride | MFCD18072019 | AM807201 | DS-1384 | SY042103 | 4-Aminomethyl-tetrahydro-pyran-4-ol hydrochloride | 4-aminomethyltetrahydropyran-4-ol hydrochloride |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30720961 | SB22764 | A849131 | SCHEMBL427038 | 4-Aminomethyltetrahydro-4H-pyran-4-ol hydrochloride | MFCD18072019 | AM807201 | DS-1384 | SY042103 | 4-Aminomethyl-tetrahydro-pyran-4-ol hydrochloride | 4-aminomethyltetrahydropyran-4-ol hydrochloride |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771557
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771557
• Sonrisas canónicas: C1COCCC1(CN)O.Cl
• IUPAC Name: 4-(aminomethyl)oxan-4-ol;hydrochloride
• InChIKey: ILUSBJDVXKZYEP-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2.ClH/c7-5-6(8)1-3-9-4-2-6;/h8H,1-5,7H2;1H
• Isómeros SMILES: C1COCCC1(CN)O.Cl
• Peso molecular: 167.63
• Reaxy-Rn: 11407381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Tertiary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Tertiary alcohol - 1,2-aminoalcohol - Dialkyl ether - Ether - Oxacycle - Organic nitrogen compound - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 167.630 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.071 Da
• Monoisotopic Mass: 167.071 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.100
• 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: 2

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