4-Morpholinophenyl isothiocyanate - ≥95% , CAS No.51317-66-9

CAS: 51317-66-9 Cat. No.: B301275 분자식: C₁₁H₁₂N₂OS 분자량: 220.29

GRADE & PURITY ≥95%

Synonyms

4-Morpholinophenyl isothiocyanate|51317-66-9|4-(4-Isothiocyanatophenyl)morpholine|4-Morpholinophenylisothiocyanate|MFCD00047409|4-(4-isothiocyanato-phenyl)-morpholine|NSC13703|SCHEMBL20069|DTXSID30279681|3-Chlorobiphenyl-3-carboxylicacid|AXUXRZZYZBZQAR-UH

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-Morpholinophenyl isothiocyanate | 51317-66-9 | 4-(4-Isothiocyanatophenyl)morpholine | 4-Morpholinophenylisothiocyanate | MFCD00047409 | 4-(4-isothiocyanato-phenyl)-morpholine | NSC13703 | SCHEMBL20069 | DTXSID30279681 | 3-Chlorobiphenyl-3-carboxylicacid | AXUXRZZYZBZQAR-UH

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 488188749
• 정식 스마일: C1COCCN1C2=CC=C(C=C2)N=C=S
• IUPAC Name: 4-(4-isothiocyanatophenyl)morpholine
• InChIKey: AXUXRZZYZBZQAR-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2OS/c15-9-12-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2
• 이성체 SMILES: C1COCCN1C2=CC=C(C=C2)N=C=S
• 분자량: 220.29
• Reaxy-Rn: 1118664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1118664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Isothiocyanate - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

• 분자량: 220.290 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.067 Da
• Monoisotopic Mass: 220.067 Da
• Topological Polar Surface Area: 56.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 51317-66-9, the molecular formula is C11H12N2OS, and the molecular weight is 220.29 g/mol. InChIKey AXUXRZZYZBZQAR-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.