Aminoacetaldehyde diethyl acetal - ≥97% , CAS No.645-36-3

CAS: 645-36-3 Cat. No.: A129111 Peso molecular: 133.19 Beilstein Registry Number: 506067 Número EC: 211-439-4

GRADE & PURITY ≥97%

Synonyms

2,2-diethoxyethan-1-amine | .alpha.-Aminoacetaldehyde diethyl acetal | HJKLEAOXCZIMPI-UHFFFAOYSA- | A8830 | .beta.,.beta.-Diethoxyethylamine | 2,2-diethoxyethyl amine | 2-Aminoacetaldehyde diethyl acetal | EN300-20378 | Ethanamine, 2,2-diethoxy- | Ethanam

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 2-diethoxyethan-1-amine | .alpha.-Aminoacetaldehyde diethyl acetal | HJKLEAOXCZIMPI-UHFFFAOYSA- | A8830 | .beta., .beta.-Diethoxyethylamine | 2, 2-diethoxyethyl amine | 2-Aminoacetaldehyde diethyl acetal | EN300-20378 | Ethanamine, 2, 2-diethoxy- | Ethanam

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488184342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184342
• Sonrisas canónicas: CCOC(CN)OCC
• IUPAC Name: 2,2-diethoxyethanamine
• InChIKey: HJKLEAOXCZIMPI-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3
• Isómeros SMILES: CCOC(CN)OCC
• WGK Alemania: 3
• Peso molecular: 133.19
• Beilstein: 506067
• Reaxy-Rn: 506067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506067&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

Objetivos asociados (humanos)

SW480 (6023 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Sensitive to air;sensitive to humidity
• Índice de refracción: 1.42
• Punto de inflamación (°F): 113 °F
• Punto de inflamación (°C): 114
• Punto de ebullición (°C): 162-163°C
• 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: 53.000
• 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

Referencias

1. Xiaoling Cao, Yonghao Deng, Zhongye Xu, Tingting Wang, Bing Tang, Jiande Han, Rui Guo, Rong Yin.  (2024)  A versatile natural gelatin-based hydrogel for emergency wound treatment through hemostasis, antibacterial, and anti-inflammation.  Biofabrication,  17  (1): (015017).  [PMID:39437818] [10.1088/1758-5090/ad89ff]

2. Zhuo Li, Zhengnan Guo, Zhengmeng Yang, Boguang Yang, Yuan Hu, Xian Xie, Zhixian Zong, Zekun Chen, Kunyu Zhang, Pengchao Zhao, Gang Li, Xuefeng Yang, Liming Bian.  (2025)  Metabolite-dependent m6A methylation driven by mechanotransduction-metabolism-epitranscriptomics axis promotes bone development and regeneration.  Cell Reports,      [PMID:40272981] [10.1016/j.celrep.2025.115611]