Bis(2-chloroethyl)amine hydrochloride - ≥98% , CAS No.821-48-7

CAS: 821-48-7 Cat. No.: B109734 Peso molecular: 178.49 Beilstein Registry Number: 3550356 Número EC: 212-479-5 PubChem CID: 522769

GRADE & PURITY ≥98%

Synonyms

Bis-(2-chloroethyl) amine hydrochloride | Bis(2-chloroethyl) amine hydrochloride | N,N-Bis(2-chloroethyl)amine hydrochloride | AM20100797 | 2-Chloro-N-(2-chloroethyl)ethylamine hydrochloride | AKOS005258967 | Bis(2-chloroethyl)aminehydrochloride | EN300-1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Bis-(2-chloroethyl) amine hydrochloride | Bis(2-chloroethyl) amine hydrochloride | N, N-Bis(2-chloroethyl)amine hydrochloride | AM20100797 | 2-Chloro-N-(2-chloroethyl)ethylamine hydrochloride | AKOS005258967 | Bis(2-chloroethyl)aminehydrochloride | EN300-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190135
• Sonrisas canónicas: C(CCl)NCCCl.Cl
• IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
• InChIKey: YMDZDFSUDFLGMX-UHFFFAOYSA-N
• INCHI: 1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
• Isómeros SMILES: C(CCl)NCCCl.Cl
• WGK Alemania: 3
• RTECS: IA1225000
• PubChem CID: 522769
• Peso molecular: 178.49
• Beilstein: 3550356
• Reaxy-Rn: 3550356

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Dialkylamines Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Partly miscible in water.
• Punto de fusión (°C): 211-215°C
• Peso molecular: 178.480 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.988 Da
• Monoisotopic Mass: 176.988 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 28.900
• 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: 2

XLogP3

Referencias

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2. Shan He, Wen-Le Fang, Xiao-Feng Guo, Hong Wang.  (2022)  A water-soluble two-photon fluorescent probe for rapid and reversible monitoring of redox state.  TALANTA,      [PMID:] [10.1016/j.talanta.2022.124066]

3. Suya Zhang, Lulu Ning, Zhihui Song, Xinyue Zhao, Feng Guan, Xiao-Feng Yang, Jianjian Zhang.  (2022)  Activatable Near-Infrared Fluorescent Organic Nanoprobe for Hypochlorous Acid Detection in the Early Diagnosis of Rheumatoid Arthritis.  ANALYTICAL CHEMISTRY,      [PMID:35380780] [10.1021/acs.analchem.1c05184]

4. Li Shan, Li He-ping, Qin Long.  (2012)  Synthesis and characterization of glycosylated nitrogen mustard derivatives and their interaction with bovine serum albumin.  RESEARCH ON CHEMICAL INTERMEDIATES,  39  (5): (1949-1956).  [PMID:] [10.1007/s11164-012-0727-2]

5. Yucong Gu, Shihua Mao, Wenli Yu, Tingben Huang, Jintao Yang.  (2024)  Injectable natural hydrogel with spatiotemporal self-strengthening, antibacterial and anti-inflammatory properties for treating diabetic wound.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154802]