(Dimethylamino)acetone - ≥98% , CAS No.15364-56-4

CAS: 15364-56-4 Cat. No.: D167514 Molecular Weight: 101.15 Beilstein Registry Number: 1740820 EC Number: 239-402-8

GRADE & PURITY ≥98%

Synonyms

(CH3)2NCH2COCH3 | (Dimethylamino)acetone, purum, >=98.0% (GC) | SY106584 | MFCD00008766 | C11H6N2O | (Dimethylamino)acetone | (dimethylamino)-acetone | NSC 96617 | 1,2-Cyclohexanediamine, (1R,2S)-rel- | 1-Dimethylaminoacetone | DIMETHYLAMINOACETONE | FT-0

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

(Dimethylamino)acetone interacts with phenol derivatives in carbon tetrachloride and this interaction has been investigated by FT-IR spectroscopy.

Specifications

Synonyms

(CH3)2NCH2COCH3 | (Dimethylamino)acetone, purum, >=98.0% (GC) | SY106584 | MFCD00008766 | C11H6N2O | (Dimethylamino)acetone | (dimethylamino)-acetone | NSC 96617 | 1, 2-Cyclohexanediamine, (1R, 2S)-rel- | 1-Dimethylaminoacetone | DIMETHYLAMINOACETONE | FT-0

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

In carbon tetrachloride, (dimethylamino) acetone interacted with phenol derivatives, and the interaction was studied by FT-IR spectroscopy.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755781
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755781
• Canonical Smiles: CC(=O)CN(C)C
• IUPAC Name: 1-(dimethylamino)propan-2-one
• InChIKey: VFPKIWATTACVJR-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3
• Isomeric SMILES: CC(=O)CN(C)C
• WGK Germany: 3
• Molecular Weight: 101.15
• Beilstein: 1740820
• Reaxy-Rn: 1740823
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740823&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-amino ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-amino ketones
• Alternative Parents: Trialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group.
• 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: light sensitive；air sensitive；heat sensitive
• Refractive Index: n20/D 1.414 (lit.)
• Flash Point(°F): 86 °F
• Flash Point(°C): 30 °C
• Boil Point(°C): 119-120 °C (lit.)
• Molecular Weight: 101.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 101.084 Da
• Monoisotopic Mass: 101.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.500
• 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

References

1. Yanxuan Xiao, Caiyong Song, Hongping Ye, Dan Li, Jiayi Shi, Xiaoke Huang, Qianming Chen, Rui Liu.  (2024)  A ferroptosis-targeting detachable dissolvable microneedle as a combined therapeutic strategy for radiation-induced oral mucositis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158959]