Carmustina impureza A - ≥97% , CAS No.2214-72-4

CAS: 2214-72-4 Cat. No.: C192125 Peso molecular: 185.05 Número EC: 811-761-0

GRADE & PURITY ≥97%

Synonyms

Q27264067 | LOMUSTINE IMPURITY A [EP IMPURITY] | MFCD00068573 | AM806154 | DTXSID40176672 | FT-0629409 | AI3-08682 | NSC36198 | NSC-36198 | AS-59501 | N,N'-Bis(2-chloroethyl)urea # | 1638499-33-8 | Urea, N,N'-bis(2-chloroethyl)-; Urea, 1,3-bis(2-chloroeth

Storage

Temperatura ambiente

Shipped In

Wet ice

Specifications

Sinónimos

Q27264067 | LOMUSTINE IMPURITY A [EP IMPURITY] | MFCD00068573 | AM806154 | DTXSID40176672 | FT-0629409 | AI3-08682 | NSC36198 | NSC-36198 | AS-59501 | N, N'-Bis(2-chloroethyl)urea # | 1638499-33-8 | Urea, N, N'-bis(2-chloroethyl)-; Urea, 1, 3-bis(2-chloroeth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C(CCl)NC(=O)NCCCl
• IUPAC Name: 1,3-bis(2-chloroethyl)urea
• InChIKey: VBWBRZHAGLZNST-UHFFFAOYSA-N
• INCHI: 1S/C5H10Cl2N2O/c6-1-3-8-5(10)9-4-2-7/h1-4H2,(H2,8,9,10)
• Isómeros SMILES: C(CCl)NC(=O)NCCCl
• Peso molecular: 185.05
• Reaxy-Rn: 1099482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 123-127℃
• Peso molecular: 185.050 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 184.017 Da
• Monoisotopic Mass: 184.017 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.600
• 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