5-클로로트립타민 염산염 - ≥98%(N) , CAS No.942-26-7

CAS: 942-26-7 Cat. No.: C154096 분자식: C₁₀H₁₁ClN₂·HCl 분자량: 231.12 Beilstein Registry Number: 22(3/4)4349 EC 번호: 213-387-8

GRADE & PURITY ≥98%(N)

Synonyms

2-(5-클로로-1H-인돌-3-일)에틸아민염산염 | 5-클로로-1H-인돌-3-에틸아민염산염 | 5-클로로-3-(2- 아미노에틸)인돌염산염 | 2-(5-클로로-1H-인돌-3-일)에타나민염산염 | 5-클로로트립타민염산염 | DTXSID60971121 | [2-(5-클로로-1H-인돌-3-일)에타나민염산염] | [2-(5-클로로-1H-인돌-3-일)에타나민염산염

Storage

Argon charged,Room temperature

Shipped In

보통

Specifications

동의어

2-(5-클로로-1H-인돌-3-일)에틸아민염산염 | 5-클로로-1H-인돌-3-에틸아민염산염 | 5-클로로-3-(2- 아미노에틸)인돌염산염 | 2-(5-클로로-1H-인돌-3-일)에타나민염산염 | 5-클로로트립타민염산염 | DTXSID60971121 | [2-(5-클로로-1H-인돌-3-일)에타나민염산염] | [2-(5-클로로-1H-인돌-3-일)에타나민염산염

사양 및 순도

≥98%(N)

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥98%(N)

이름과 식별자

Pubchem Sid

488194086

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194086

정식 스마일

C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl

IUPAC Name

2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride

InChIKey

PBANXRNIXGEHPZ-UHFFFAOYSA-N

INCHI

1S/C10H11ClN2.ClH/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;/h1-2,5-6,13H,3-4,12H2;1H

이성체 SMILES

C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl

분자량

231.12

Beilstein

22(3/4)4349

Reaxy-Rn

3718105

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3718105&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles 2-arylethylamines Aralkylamines Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - 2-arylethylamine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Amine - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

화학 및 물리적 특성

• 감도: Easy to absorb moisture
• 녹는점(°C): 290° dec.
• 분자량: 231.120 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.038 Da
• Monoisotopic Mass: 230.038 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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: 2

XLogP3

자주 묻는 질문

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 942-26-7, the molecular formula is C10H11ClN2·HCl, and the molecular weight is 231.12 g/mol. InChIKey PBANXRNIXGEHPZ-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.