N-Nitrosohexamethyleneimine - ≥95% , CAS No.932-83-2

CAS: 932-83-2 Cat. No.: N336398 Summenformel: C₆H₁₂N₂O Molekulargewicht: 128.17 EG-Nummer: 213-258-6

GRADE & PURITY ≥95%

Synonyms

N-Nitrosohexamethyleneimine | UNII-N67X53N3YT | DTXCID301040 | Hexahydro-1-nitroso-1H-azepine | EINECS 213-258-6 | N-Nitrosohexamethylenimine | N-Nitrosoperhydroazepine | 1-Nitrosoazepane | 1-Nitroso-azepane | UZMVSVHUTOAPTD-UHFFFAOYSA-N | NITROSOHEXAMETH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

N-Nitrosohexamethyleneimine | UNII-N67X53N3YT | DTXCID301040 | Hexahydro-1-nitroso-1H-azepine | EINECS 213-258-6 | N-Nitrosohexamethylenimine | N-Nitrosoperhydroazepine | 1-Nitrosoazepane | 1-Nitroso-azepane | UZMVSVHUTOAPTD-UHFFFAOYSA-N | NITROSOHEXAMETH

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1CCCN(CC1)N=O
• IUPAC Name: 1-nitrosoazepane
• InChIKey: UZMVSVHUTOAPTD-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2
• Isomere SMILES: C1CCCN(CC1)N=O
• Molekulargewicht: 128.17
• Reaxy-Rn: 1237798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepanes
• Alternative Parents: Organic N-nitroso compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azepane - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 233° C (lit.)
• Molekulargewicht: 128.169 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.095 Da
• Monoisotopic Mass: 128.095 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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