Terbutol - analytical standard , CAS No.1918-11-2

CAS: 1918-11-2 Cat. No.: T770517 Summenformel: C₁₇H₂₇NO₂ Molekulargewicht: 277.4 EG-Nummer: 690-109-5 PubChem CID: 15967

GRADE & PURITY Analytical standard

Storage

Protected from light,Room temperature

Shipped In

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Specifications

Spezifikationen & Reinheit

analytical standard

Storage

Protected from light,Room temperature

Verschickt in

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Note

Analytischer Standard

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C
• IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
• InChIKey: PNRAZZZISDRWMV-UHFFFAOYSA-N
• INCHI: 1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
• Isomere SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C
• RTECS: FB8525000
• PubChem CID: 15967
• Molekulargewicht: 277.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenyl methylcarbamates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenyl methylcarbamates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl methylcarbamates
• Alternative Parents: Phenylpropanes Phenoxy compounds Toluenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl methylcarbamate - Phenylpropane - Phenoxy compound - Toluene - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl methylcarbamates. These are aromatic compounds containing a methylcarbamic acid esterified with a phenyl group.
• External Descriptors: alkylbenzene

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 277.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.204 Da
• Monoisotopic Mass: 277.204 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 314.000
• 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

Häufig gestellte Fragen

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1918-11-2, the molecular formula is C17H27NO2, and the molecular weight is 277.4 g/mol. InChIKey PNRAZZZISDRWMV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.