GRADE & PURITY ≥96%

Synonyms

DTXSID20394271 | p-[(N-Methyl-N-Hydroxyethyl)Amino]Benzaldehyde | N-Methyl-N-(2-hydroxyethyl)-4-aminobenzaldehyde | MFCD00963547 | 4-[N-2-hydroxyethyl-N-methylamino]benzaldehyde | D94465 | EN300-20869 | FT-0633475 | Z104484150 | 4-[Methyl-(2-hydroxyethyl)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID20394271 | p-[(N-Methyl-N-Hydroxyethyl)Amino]Benzaldehyde | N-Methyl-N-(2-hydroxyethyl)-4-aminobenzaldehyde | MFCD00963547 | 4-[N-2-hydroxyethyl-N-methylamino]benzaldehyde | D94465 | EN300-20869 | FT-0633475 | Z104484150 | 4-[Methyl-(2-hydroxyethyl)

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504762636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762636
• Canonical Smiles: CN(CCO)C1=CC=C(C=C1)C=O
• IUPAC Name: 4-[2-hydroxyethyl(methyl)amino]benzaldehyde
• InChIKey: JOCUIVLSLBBESN-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3
• Isomeric SMILES: CN(CCO)C1=CC=C(C=C1)C=O
• WGK Germany: 3
• Molecular Weight: 179.22
• Reaxy-Rn: 2805410
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805410&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Dialkylarylamines Benzaldehydes Aniline and substituted anilines 1,2-aminoalcohols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl-aldehyde - 1,2-aminoalcohol - Tertiary amine - Alkanolamine - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aldehyde - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Molecular Weight: 179.220 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 153.000
• 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. Zheng Gong, Xue Wang, Haowen Ma, Bing Wei, Xiaojuan Wang, Yingzhong Zhu, Zhangjun Hu, Kajsa Uvdal, Zhengjie Liu, Zhongping Zhang.  (2024)  A targetable fluorescent probe for detecting mitochondrial viscosity in live cells by using fluorescence lifetime imaging.  NEW JOURNAL OF CHEMISTRY,  48  (24): (10973-10978).  [PMID:] [10.1039/D4NJ01336K]