N-Nitrosodiisobutylamine - ≥95% , CAS No.997-95-5

CAS: 997-95-5 Cat. No.: N331606 Peso molecular: 158.24 Número EC: 213-644-4

GRADE & PURITY ≥95%

Synonyms

N,N-Diisobutylnitrous amide | AKOS006273045 | InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H | bis(2-methylpropyl)(nitroso)amine | Diisobutylnitrosoamine | Bisisobutyl-N-nitrosoamine | EINECS 213-644-4 | UNII-0T0982G912 | DIPROPYLAMINE, 2,2'-D

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

N-Nitrosodiisobutylamine is a nitrosamine compound. There are observed carcinogenic effects in N-Nitrosodiisobutylamine. N-Nitrosodiisobutylamine is best applied to mutagenesis research studies.

Specifications

Sinónimos

N, N-Diisobutylnitrous amide | AKOS006273045 | InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H, 5-6H2, 1-4H | bis(2-methylpropyl)(nitroso)amine | Diisobutylnitrosoamine | Bisisobutyl-N-nitrosoamine | EINECS 213-644-4 | UNII-0T0982G912 | DIPROPYLAMINE, 2, 2'-D

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)CN(CC(C)C)N=O
• IUPAC Name: N,N-bis(2-methylpropyl)nitrous amide
• InChIKey: XLZCLFRMPCBSDI-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
• Isómeros SMILES: CC(C)CN(CC(C)C)N=O
• Peso molecular: 158.24
• Reaxy-Rn: 1760696
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760696&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic nitroso compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic nitroso compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic N-nitroso compounds
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic n-nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic n-nitroso compounds. These are organic compounds containing a n-nitroso group -NN=O.
• 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

• Peso molecular: 158.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 158.142 Da
• Monoisotopic Mass: 158.142 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 103.000
• 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