7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-amine - ≥97% , CAS No.4003-89-8

CAS: 4003-89-8 Cat. No.: M193219 Molecular Weight: 177.24

GRADE & PURITY ≥97%

Synonyms

AB28763 | MFCD06739168 | 7-methoxy-1,2,3,4-tetrahydronapthalen-2-ylamine | DTXSID10469346 | FT-0694800 | AB06766 | EN300-256674 | J-519285 | BDBM50020509 | FT-0659611 | 7-methoxy-2-aminotetralin | 7-methoxy-2-amino-tetralin | 7-methoxy-2-aminotetraline |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AB28763 | MFCD06739168 | 7-methoxy-1, 2, 3, 4-tetrahydronapthalen-2-ylamine | DTXSID10469346 | FT-0694800 | AB06766 | EN300-256674 | J-519285 | BDBM50020509 | FT-0659611 | 7-methoxy-2-aminotetralin | 7-methoxy-2-amino-tetralin | 7-methoxy-2-aminotetraline |

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766584
• Canonical Smiles: COC1=CC2=C(CCC(C2)N)C=C1
• IUPAC Name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• InChIKey: ZNWNWWLWFCCREO-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
• Isomeric SMILES: COC1=CC2=C(CCC(C2)N)C=C1
• Molecular Weight: 177.24
• Reaxy-Rn: 2834077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2834077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Associated Targets(Human)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

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

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 177.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.115 Da
• Monoisotopic Mass: 177.115 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1