4-Aminobutyraldehyde Dimethyl Acetal - ≥98% , CAS No.19060-15-2

CAS: 19060-15-2 Cat. No.: A132534 Peso molecular: 133.19 Número EC: 407-690-6

GRADE & PURITY ≥98%

Synonyms

4,4-Dimethoxybutylamine | F0001-0686 | DTXSID20885078 | MFCD00189373 | Aminobutryaldehydedimethylacetal | SCHEMBL219409 | AKOS006227966 | D77943 | TYVAXMOICMBSMT-UHFFFAOYSA- | 4-Aminobutyraldehyde dimethyl acetal | AMY18845 | 4-Aminobutyraldehyde dimethyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

ApplicProduct Application
4-Aminobutyraldehyde dimethyl acetal acts as an intermediate in organic synthesis. It is used in the preparation of pineal hormone melatonin by reaction with 4-methoxyphenylhydrazine hydrochloride and acetic anhydride. Further, it is also used in the preparation of ficuseptine, juliprosine, and juliprosopine.

Specifications

Sinónimos

4, 4-Dimethoxybutylamine | F0001-0686 | DTXSID20885078 | MFCD00189373 | Aminobutryaldehydedimethylacetal | SCHEMBL219409 | AKOS006227966 | D77943 | TYVAXMOICMBSMT-UHFFFAOYSA- | 4-Aminobutyraldehyde dimethyl acetal | AMY18845 | 4-Aminobutyraldehyde dimethyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195567
• Sonrisas canónicas: COC(CCCN)OC
• IUPAC Name: 4,4-dimethoxybutan-1-amine
• InChIKey: TYVAXMOICMBSMT-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
• Isómeros SMILES: COC(CCCN)OC
• Peso molecular: 133.19
• Reaxy-Rn: 1919298
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1919298&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

• Sensibilidad: Air Sensitive,Hygroscopic
• Índice de refracción: 1.43
• Punto de inflamación (°F): 138°F
• Punto de inflamación (°C): 59°C(lit.)
• Punto de ebullición (°C): 85 °C/22 mmHg
• Peso molecular: 133.190 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.000
• 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