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

CAS: 589-08-2 Cat. No.: N159074 분자식: C₉H₁₃N 분자량: 135.21 Beilstein Registry Number: 636347 EC 번호: 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

동의어

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 |

사양 및 순도

≥97%(GC)(T)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%(GC)(T)

이름과 식별자

• Pubchem Sid: 504752139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752139
• 정식 스마일: 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
• 이성체 SMILES: CNCCC1=CC=CC=C1
• WGK 독일: 3
• RTECS: SH9625000
• 분자량: 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
    • 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: 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
• 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(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: air & heat sensitive
• 굴절률: 1.5150 to 1.5190
• 발화점(°F): 163.4 °F
• 발화점(°C): 73°C
• 끓는점(°C): 203-205°C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

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.