3-Methylphenethylamine - ≥97% , CAS No.55755-17-4

CAS: 55755-17-4 Cat. No.: M170979 분자식: C₉H₁₃N 분자량: 135.21 EC 번호: 663-484-8

GRADE & PURITY ≥97%

Synonyms

BDBM50262758 | .ALPHA.-D-GLUCOPYRANOSYL PENTAACETATE | 3-Methylbenzeneethanamine | 3-Methyl-benzeneethanamine | 3-Methylphenethylamine | 2-(3-methylphenyl)ethan-1-amine | 2-m-tolyl-ethylamine | 3,4-methyl-phenethylamine | Benzeneethanamine, 3-methyl- | 2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

BDBM50262758 | .ALPHA.-D-GLUCOPYRANOSYL PENTAACETATE | 3-Methylbenzeneethanamine | 3-Methyl-benzeneethanamine | 3-Methylphenethylamine | 2-(3-methylphenyl)ethan-1-amine | 2-m-tolyl-ethylamine | 3,4-methyl-phenethylamine | Benzeneethanamine, 3-methyl- | 2-

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 488189688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189688
• 정식 스마일: CC1=CC(=CC=C1)CCN
• IUPAC Name: 2-(3-methylphenyl)ethanamine
• InChIKey: GUERDLPJJJMIEU-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6,10H2,1H3
• 이성체 SMILES: CC1=CC(=CC=C1)CCN
• WGK 독일: 3
• 분자량: 135.21
• Reaxy-Rn: 3125427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3125427&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: 2-arylethylamines Toluenes Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Aralkylamine - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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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Acinetobacter baumannii (41033 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): 179.6 °F
• 발화점(°C): 82 °C
• 분자량: 135.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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