N-Methyl-2-phenylethylamine - ≥97%(GC)(T) , CAS No.589-08-2

CAS: 589-08-2 Cat. No.: N159074 分子式: C₉H₁₃N 分子量: 135.21 Beilstein Registry Number: 636347 EC番号: 209-632-3

GRADE & PURITY ≥97%(GC)(T)

Synonyms

N-Methyl-beta-phenylaethylamin | N-Methyl-N-(2-phenylethyl)amine | AKOS000143475 | N-Methyl-beta-phenylethylamine | NSC113957 | NSC-113957 | 02N4V81704 | alpha-Phenyl-beta-methylaminoethane | Benzeneethanamine, N-methyl- | NCGC00247064-01 | SMR000112362 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

N-Methyl-beta-phenylaethylamin | N-Methyl-N-(2-phenylethyl)amine | AKOS000143475 | N-Methyl-beta-phenylethylamine | NSC113957 | NSC-113957 | 02N4V81704 | alpha-Phenyl-beta-methylaminoethane | Benzeneethanamine, N-methyl- | NCGC00247064-01 | SMR000112362 |

仕様と純度

≥97%(GC)(T)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(GC)(T)

名前と識別子

• パブケム・シド: 504752139
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752139
• カノニカル・スマイル: CNCCC1=CC=CC=C1
• IUPAC Name: N-methyl-2-phenylethanamine
• InChIKey: SASNBVQSOZSTPD-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
• 異性体SMILES: CNCCC1=CC=CC=C1
• WGKドイツ: 3
• RTECS: SH9625000
• 分子量: 135.21
• Beilstein: 636347
• Reaxy-Rn: 636347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636347&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Aralkylamines Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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

関連ターゲット（非人間）

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

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

作用メカニズム

化学的性質と物理的性質

• 感度: air & heat sensitive
• 屈折率: 1.5150 to 1.5190
• 引火点（°F）: 163.4 °F
• 引火点（°C）: 73°C
• 沸点（°C）: 203-205°C
• 分子量: 135.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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

参考文献

1. Xiaotu Liu, Xinyu Zhu, Shuyue Wang, Fengli Zhou, Ning Zhang, Ziliang Wang, Maohua Miao, Hong Liang, Meilin Yan, Xiangfei Sun, Da Chen.  (2025)  Chemically Labeled Exposome Analysis (CLEAN): A Strategy for Nontargeted Identification of Urinary Metabolites.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:41116294] [10.1021/acs.est.5c07728]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 589-08-2, the molecular formula is C9H13N, and the molecular weight is 135.21 g/mol. InChIKey SASNBVQSOZSTPD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.