Pentanimidamide Hydrochloride - ≥95% , CAS No.18257-46-0

CAS: 18257-46-0 Cat. No.: D305243 Formula: C₅H₁₂N₂.HCl Peso molecolare: 136.62 Numero EC: 819-303-1

GRADE & PURITY ≥95%

Synonyms

Pentanimidamide, hydrochloride (1:1) | Z1723418909 | Pentanimidamide, monohydrochloride | Pentanimidamide hydrochloride (1:1) | A854846 | Pentanimidamide, HCl | BCP11276 | AKOS016008980 | FFHQVTXPIOPINO-UHFFFAOYSA-N | MFCD11052491 | EN300-142139 | DTXSID6

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

Pentanimidamide, hydrochloride (1:1) | Z1723418909 | Pentanimidamide, monohydrochloride | Pentanimidamide hydrochloride (1:1) | A854846 | Pentanimidamide, HCl | BCP11276 | AKOS016008980 | FFHQVTXPIOPINO-UHFFFAOYSA-N | MFCD11052491 | EN300-142139 | DTXSID6

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504766589
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766589
• Sorrisi canonici: CCCCC(=N)N.Cl
• IUPAC Name: pentanimidamide;hydrochloride
• InChIKey: FFHQVTXPIOPINO-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
• Isomeri SMILES: CCCCC(=N)N.Cl
• Peso molecolare: 136.62
• Reaxy-Rn: 3674971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3674971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Quaternary ammonium salts
• Alternative Parents: Carboximidamides Carboxamidines Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Carboximidamide - Carboxylic acid amidine - Amidine - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic cation - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl 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

Proprietà chimiche e fisiche

• Peso molecolare: 136.620 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.077 Da
• Monoisotopic Mass: 136.077 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.100
• 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: 2

XLogP3