5-메톡시그라민 - ≥99% , CAS No.16620-52-3

CAS: 16620-52-3 Cat. No.: M167774 분자식: C₁₂H₁₆N₂O 분자량: 204.27 Beilstein Registry Number: 170533 EC 번호: 240-669-8

GRADE & PURITY ≥99%

Synonyms

2-Dimethylaminomethyl-5-methoxyindole | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine | 1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine | Indole, 3-[(dimethylamino)methyl]-5-methoxy- | AS-76881 | SR-01000003310-1 | 5-methoxy gramine | SDCCGMLS-

Storage

실내 온도

Shipped In

보통

개요

응용 분야

도파민 D2 수용체 길항제 제조용 반응물

금(I)-촉매를 이용한 분자 내 프리델-크래프트 알릴 알킬화 반응을 통한 에테닐(테트라하이드로)카르바졸레디카르복실산염의 비대칭 제조용 반응물

도파민 D2 유사 수용체 리간드로서 N- 치환된 3-아릴-8-아자비시클로[3.2.1]옥탄-3-올의 제조를 위한 반응물

항투불린제로서 트리메톡시벤조일 염화물 또는 무수화물과의 N-아로일화를 통해 치환된 N-트리메톡시벤조일 인돌, 인돌린 및 테트라하이드로퀴놀린의 제조를 위한 반응물

인돌릴메탄설폰아미드 및 그 메톡시 유도체 제조용 반응물

Specifications

동의어

2-Dimethylaminomethyl-5-methoxyindole | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine | 1-(5-Methoxy-1h-Indol-3-Yl)-N,N-Dimethyl-Methanamine | Indole, 3-[(dimethylamino)methyl]-5-methoxy- | AS-76881 | SR-01000003310-1 | 5-methoxy gramine | SDCCGMLS-

사양 및 순도

≥99%

보관 조건

실내 온도

배송

보통

순수함

≥99%

이름과 식별자

Pubchem Sid

488183067

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183067

정식 스마일

CN(C)CC1=CNC2=C1C=C(C=C2)OC

IUPAC Name

1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

InChIKey

GOERTRUXQHDLHC-UHFFFAOYSA-N

INCHI

1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3

이성체 SMILES

CN(C)CC1=CNC2=C1C=C(C=C2)OC

WGK 독일

3

RTECS

NL7700000

분자량

204.27

Beilstein

170533

Reaxy-Rn

170533

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170533&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Anisole - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

• 녹는점(°C): 123-126 °C (lit.)
• 분자량: 204.270 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.126 Da
• Monoisotopic Mass: 204.126 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 208.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 16620-52-3, the molecular formula is C12H16N2O, and the molecular weight is 204.27 g/mol. InChIKey GOERTRUXQHDLHC-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.