(3-Phenoxyphenyl)methanamine - ≥95% , CAS No.50742-37-5

CAS: 50742-37-5 Cat. No.: P589302 분자식: C₁₃H₁₃NO 분자량: 199.25 PubChem CID: 1094836

등급 & 순도 ≥95%

Synonyms

BS-14014 | STK724636 | DTXSID20360254 | EN300-40013 | AKOS000131528 | 1-(3-phenoxyphenyl)methanamine | MFCD01631862 | OWIFNISFRBVGIX-UHFFFAOYSA-N | HMS1704E08 | (3-phenoxyphenyl)methanamine | Z239626476 | C77659 | BB 0216493 | (3-Phenoxyphenyl)methylamine

Storage

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

Shipped In

Wet ice

사양

동의어

BS-14014 | STK724636 | DTXSID20360254 | EN300-40013 | AKOS000131528 | 1-(3-phenoxyphenyl)methanamine | MFCD01631862 | OWIFNISFRBVGIX-UHFFFAOYSA-N | HMS1704E08 | (3-phenoxyphenyl)methanamine | Z239626476 | C77659 | BB 0216493 | (3-Phenoxyphenyl)methylamine

사양 및 순도

≥95%

보관 조건

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

배송

Wet ice

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

순수함

≥95%

이름과 식별자

Pubchem Sid

508806525

정식 스마일

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN

IUPAC Name

(3-phenoxyphenyl)methanamine

InChIKey

OWIFNISFRBVGIX-UHFFFAOYSA-N

INCHI

1S/C13H13NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10,14H2

이성체 SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN

PubChem CID

1094836

분자량

199.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Aralkylamine - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 199.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.1 Da
• Monoisotopic Mass: 199.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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