5,6,7,8-Tetrahidroisoquinolina - ≥98% , CAS No.36556-06-6

CAS: 36556-06-6 Cat. No.: T162590 Peso molecular: 133.19 Beilstein Registry Number: 20(3/4)2948 Número EC: 253-098-4 PubChem CID: 119010

GRADE & PURITY ≥98%

Synonyms

MFCD00012168 | InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H | SCHEMBL28211 | Z104492180 | Q63408733 | BDBM50369456 | T1230 | EN300-21119 | SB36851 | SY029025 | AKOS000121445 | 5,6,7,8-Tetrahydroisoquinoline, 95% | FT-0649653 | EINECS 253-098-4 | AM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00012168 | InChI=1/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H, 1-4H | SCHEMBL28211 | Z104492180 | Q63408733 | BDBM50369456 | T1230 | EN300-21119 | SB36851 | SY029025 | AKOS000121445 | 5, 6, 7, 8-Tetrahydroisoquinoline, 95% | FT-0649653 | EINECS 253-098-4 | AM

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756801
• Sonrisas canónicas: C1CCC2=C(C1)C=CN=C2
• IUPAC Name: 5,6,7,8-tetrahydroisoquinoline
• InChIKey: HTMGQIXFZMZZKD-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2
• Isómeros SMILES: C1CCC2=C(C1)C=CN=C2
• WGK Alemania: 3
• PubChem CID: 119010
• Peso molecular: 133.19
• Beilstein: 20(3/4)2948
• Reaxy-Rn: 116144

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Objetivos asociados (humanos)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 212 °F
• Punto de inflamación (°C): 100 °C
• Punto de ebullición (°C): 81 °C/1 mmHg
• Peso molecular: 133.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• 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