2-(2-Aminophenyl)ethanol - ≥95%(GC) , CAS No.5339-85-5

CAS: 5339-85-5 Cat. No.: A151124 분자식: C₈H₁₁NO 분자량: 137.18 Beilstein Registry Number: 13(3)1679 EC 번호: 226-275-9

GRADE & PURITY ≥95%(GC)

Synonyms

2-Aminophenethyl alcohol, 97% | NSC3572 | NSC-3572 | SCHEMBL249418 | W-105739 | 2-aminophenethylalcohol | 2-amino-phenethylalcohol | 2-Anilin-athanol | DTXSID8034372 | 2-(2-Aminophenyl)ethyl Alcohol | 2-aminophenylethanol | AC-067 | AMY301 | EINECS 226-27

Storage

Room temperature,Argon charged

Shipped In

Normal

개요

2-Aminophenethyl alcohol undergoes one-pot cyclization with carboxylic acids in the presence of PPh3, CCl4 and NEt3 to yield N-acyl indolines.
2-Aminophenethyl alcohol was used in the synthesis of: 1. indole derivatives. 2. N-(cyanothioformyl)indoline. 3. dihydro-3,1-benzoxazepine.

Specifications

동의어

2-Aminophenethyl alcohol, 97% | NSC3572 | NSC-3572 | SCHEMBL249418 | W-105739 | 2-aminophenethylalcohol | 2-amino-phenethylalcohol | 2-Anilin-athanol | DTXSID8034372 | 2-(2-Aminophenyl)ethyl Alcohol | 2-aminophenylethanol | AC-067 | AMY301 | EINECS 226-27

사양 및 순도

≥95%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 488185707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185707
• 정식 스마일: C1=CC=C(C(=C1)CCO)N
• IUPAC Name: 2-(2-aminophenyl)ethanol
• InChIKey: ILDXSRFKXABMHH-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
• 이성체 SMILES: C1=CC=C(C(=C1)CCO)N
• WGK 독일: 3
• 분자량: 137.18
• Beilstein: 13(3)1679
• Reaxy-Rn: 2356512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2356512&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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)

HEK293 (82097 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air sensitive
• 굴절률: 1.588
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 147-148 °C/3.5 mmHg(lit.)
• 분자량: 137.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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