3-Chloro-4-morpholinobenzaldehyde - ≥97% , CAS No.886500-23-8

CAS: 886500-23-8 Cat. No.: C187755 분자식: C₁₁H₁₂ClNO₂ 분자량: 225.7

GRADE & PURITY ≥97%

Synonyms

3-chloro-4-(morpholin-4-yl)benzaldehyde | 3-Chloro-4-morpholinobenzaldehyde | A861603 | FT-0768498 | STL376993 | PUYGMNZNDICVPO-UHFFFAOYSA-N | SCHEMBL15093728 | AKOS000102059 | DTXSID30428091 | 3-chloro-4-morpholin-4-ylbenzaldehyde | 3-CHLORO-4-MORPHOLIN-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

3-chloro-4-(morpholin-4-yl)benzaldehyde | 3-Chloro-4-morpholinobenzaldehyde | A861603 | FT-0768498 | STL376993 | PUYGMNZNDICVPO-UHFFFAOYSA-N | SCHEMBL15093728 | AKOS000102059 | DTXSID30428091 | 3-chloro-4-morpholin-4-ylbenzaldehyde | 3-CHLORO-4-MORPHOLIN-

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528758700
• 정식 스마일: C1COCCN1C2=C(C=C(C=C2)C=O)Cl
• IUPAC Name: 3-chloro-4-morpholin-4-ylbenzaldehyde
• InChIKey: PUYGMNZNDICVPO-UHFFFAOYSA-N
• INCHI: 1S/C11H12ClNO2/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
• 이성체 SMILES: C1COCCN1C2=C(C=C(C=C2)C=O)Cl
• 분자량: 225.7
• Reaxy-Rn: 31282649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31282649&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 Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Chlorobenzenes Aryl chlorides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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

관련 대상(인간)

ALDH3A1 Tchem Aldehyde dehydrogenase dimeric NADP-preferring (307 Activities)

Discover Target: ALDH3A1

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air sensitive
• 분자량: 225.670 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.056 Da
• Monoisotopic Mass: 225.056 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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