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

CAS: 19060-15-2 Cat. No.: A132534 Molecular Weight: 133.19 EC Number: 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

Overview

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

Synonyms

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

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195567
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195567
• Canonical Smiles: 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
• Isomeric SMILES: COC(CCCN)OC
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Hygroscopic
• Refractive Index: 1.43
• Flash Point(°F): 138°F
• Flash Point(°C): 59°C(lit.)
• Boil Point(°C): 85 °C/22 mmHg
• Molecular Weight: 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