4-Boc-2-Hydroxymethylmorpholine - ≥98% , CAS No.135065-69-9

CAS: 135065-69-9 Cat. No.: B190653 분자식: C₁₀H₁₉NO₄ 분자량: 217.26 EC 번호: 842-996-7

GRADE & PURITY ≥98%

Synonyms

4-(tert-Butoxycarbonyl)morpholin-2-yl methanol | (+/-)-tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate | tert-butyl 2-(hydroxymethyl)morpholinecarboxylate | N-BOC-2-(HYDROXYMETHYL)MORPHOLINE | SY015079 | 2-Hydroxymethyl-4-Boc-morpholine | 4-MORPHOLIN

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

4-(tert-Butoxycarbonyl)morpholin-2-yl methanol | (+/-)-tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate | tert-butyl 2-(hydroxymethyl)morpholinecarboxylate | N-BOC-2-(HYDROXYMETHYL)MORPHOLINE | SY015079 | 2-Hydroxymethyl-4-Boc-morpholine | 4-MORPHOLIN

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: CC(C)(C)OC(=O)N1CCOC(C1)CO
• IUPAC Name: tert-butyl 2-(hydroxymethyl)morpholine-4-carboxylate
• InChIKey: FJYBLMJHXRWDAQ-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3
• 이성체 SMILES: CC(C)(C)OC(=O)N1CCOC(C1)CO
• 분자량: 217.26
• Reaxy-Rn: 7991621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7991621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Carbamic acid ester - Dialkyl ether - Ether - Oxacycle - Azacycle - Alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.
• 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(비인간)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 217.260 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 217.131 Da
• Monoisotopic Mass: 217.131 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1