N,N-Dimethyl-6-propionyl-2-naphthylamine - ≥98% , CAS No.70504-01-7

CAS: 70504-01-7 Cat. No.: P131289 Molecular Weight: 227.302

GRADE & PURITY ≥98%

Synonyms

DTXSID60990711 | DS-11913 | D4678 | VCA50401 | J-100113 | NCGC00160619-01 | UNII-3KRL7R0ZB7 | FT-0621309 | 1-(6-(Dimethylamino)naphthalen-2-yl)propan-1-one | AKOS016846014 | N,N-Dimethyl-6-propionyl-2-phthylamine | 2-propionyl-6-dimethylaminonaphthalene |

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Usually used as a fluorescence probe in non-cell based in vitro assay for the determination of drug-phospholipid complex formation and to study membrane surface properties.

Specifications

Synonyms

DTXSID60990711 | DS-11913 | D4678 | VCA50401 | J-100113 | NCGC00160619-01 | UNII-3KRL7R0ZB7 | FT-0621309 | 1-(6-(Dimethylamino)naphthalen-2-yl)propan-1-one | AKOS016846014 | N, N-Dimethyl-6-propionyl-2-phthylamine | 2-propionyl-6-dimethylaminonaphthalene |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Membrane surface probe. Use in non-cell based in vitro assays or membrane models for studying phospholipid interactions.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756629
• Canonical Smiles: CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
• IUPAC Name: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one
• InChIKey: MPPQGYCZBNURDG-UHFFFAOYSA-N
• INCHI: 1S/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
• Isomeric SMILES: CCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
• Molecular Weight: 227.302
• Reaxy-Rn: 2723587
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723587&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Dialkylarylamines Aryl alkyl ketones Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aryl alkyl ketone - Ketone - Tertiary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: 2-acyl-6-dimethylaminonaphthalene

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

• Solubility: Soluble in DMF, Acetone, Acetonitrile, and Methanol.
• Sensitivity: Air Sensitive；Light sensitive
• Melt Point(°C): 138 °C
• Molecular Weight: 227.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.131 Da
• Monoisotopic Mass: 227.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 274.000
• 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

References

1. Zihao Wang, Yizhuo Lu, Jinxiang Yang, Wei Xiao, Tianyou Chen, Changfeng Yi, Zushun Xu.  (2023)  Engineering the Hydrophobic Microenvironment in Polystyrene-Supported Artificial Catalytic Triad Nanocatalysts: An Effective Strategy for Improving Catalytic Performance.  LANGMUIR,      [PMID:37040596] [10.1021/acs.langmuir.3c00486]