2-(4-Morpholinylmethyl)phenol - Reagent grade , CAS No.4438-01-1

CAS: 4438-01-1 Cat. No.: M479087 분자식: C₁₁H₁₅NO₂ 분자량: 193.24 EC 번호: 108-337-6

GRADE & PURITY Reagent Grade

Synonyms

BS-38000 | SCHEMBL4327006 | STK105121 | Oprea1_480881 | AKOS006230497 | 2-(morpholin-4-ylmethyl)phenol | 2-(morpholin-4-yl-methyl)-phenol | 2-(Morpholinomethyl)phenol | DTXSID30279969 | EN300-2756274 | 2-[(morpholin-4-yl)methyl]phenol | AH-283/31127039 |

Storage

Room temperature

Specifications

동의어

BS-38000 | SCHEMBL4327006 | STK105121 | Oprea1_480881 | AKOS006230497 | 2-(morpholin-4-ylmethyl)phenol | 2-(morpholin-4-yl-methyl)-phenol | 2-(Morpholinomethyl)phenol | DTXSID30279969 | EN300-2756274 | 2-[(morpholin-4-yl)methyl]phenol | AH-283/31127039 |

사양 및 순도

Reagent grade

보관 조건

Room temperature

등급

Reagent Grade

이름과 식별자

• 정식 스마일: C1COCCN1CC2=CC=CC=C2O
• IUPAC Name: 2-(morpholin-4-ylmethyl)phenol
• InChIKey: OYLIEVIKIUHKTG-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2
• 이성체 SMILES: C1COCCN1CC2=CC=CC=C2O
• 분자량: 193.24
• Reaxy-Rn: 146878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

관련 대상(인간)

MES-SA (905 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 193.240 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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 does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade 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.

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

The CAS Number is 4438-01-1, the molecular formula is C11H15NO2, and the molecular weight is 193.24 g/mol. InChIKey OYLIEVIKIUHKTG-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.