Trimethylpropylammonium Bromide - ≥98%(T) , CAS No.2650-50-2

CAS: 2650-50-2 Cat. No.: T162053 분자식: C₆H₁₆BrN 분자량: 182.11 EC 번호: 220-172-2 PubChem CID: 75853

GRADE & PURITY ≥98%(T)

Synonyms

1-Propanaminium,N,N-trimethyl-, bromide | T2762 | n,n,n-trimethylpropan-1-aminium bromide | n,n,n-trimethylpropan-1-aminiumbromide | DTXSID80883878 | MFCD20257915 | NSC 97198 | Trimethylpropylammonium bromide | UNII-FWF6WK28J5 | SCHEMBL814241 | 1-Propanam

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

1-Propanaminium,N,N-trimethyl-, bromide | T2762 | n,n,n-trimethylpropan-1-aminium bromide | n,n,n-trimethylpropan-1-aminiumbromide | DTXSID80883878 | MFCD20257915 | NSC 97198 | Trimethylpropylammonium bromide | UNII-FWF6WK28J5 | SCHEMBL814241 | 1-Propanam

사양 및 순도

≥98%(T)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(T)

이름과 식별자

• Pubchem Sid: 504755000
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755000
• 정식 스마일: CCC[N+](C)(C)C.[Br-]
• IUPAC Name: trimethyl(propyl)azanium;bromide
• InChIKey: FCGQIZKUTMUWDC-UHFFFAOYSA-M
• INCHI: 1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• 이성체 SMILES: CCC[N+](C)(C)C.[Br-]
• PubChem CID: 75853
• 분자량: 182.11
• Reaxy-Rn: 3912136

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

화학 및 물리적 특성

• 용해성: Soluble in water
• 감도: Moisture sensitive
• 녹는점(°C): 238°C(dec.)(lit.)
• 분자량: 182.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.047 Da
• Monoisotopic Mass: 181.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 42.600
• 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: 2

XLogP3