Anthracen-9-ylmethanamine - ≥97% , CAS No.2476-68-8

CAS: 2476-68-8 Cat. No.: A588398 Molecular Weight: 207.27 EC Number: 112-559-9

GRADE & PURITY ≥97%

Synonyms

C-Anthracen-9-yl-methylamine | DTXSID20454662 | BDBM50111529 | 9-Anthracenemethanamine | SCHEMBL2384515 | Anthracen-9-ylmethanamine | BS-48901 | 9-aminomethylanthracene | N14949 | anthracen-10-ylmethanamine | SB77878

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

C-Anthracen-9-yl-methylamine | DTXSID20454662 | BDBM50111529 | 9-Anthracenemethanamine | SCHEMBL2384515 | Anthracen-9-ylmethanamine | BS-48901 | 9-aminomethylanthracene | N14949 | anthracen-10-ylmethanamine | SB77878

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765981
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765981
• Canonical Smiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CN
• IUPAC Name: anthracen-9-ylmethanamine
• InChIKey: MEQDVTFZLJSMPO-UHFFFAOYSA-N
• INCHI: 1S/C15H13N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10,16H2
• Isomeric SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CN
• Molecular Weight: 207.27
• Reaxy-Rn: 2805128
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

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

CASP7 Tchem Caspase-7 (3146 Activities)

Discover Target: CASP7

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

SK-BR-3 (5175 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 207.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 207.105 Da
• Monoisotopic Mass: 207.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 216.000
• 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

References

1. Hong Huang, Biyun Chen, Lifen Li, Yuan Wang, Zhangfeng Shen, Yangang Wang, Xi Li.  (2021)  A two-photon fluorescence probe with endoplasmic reticulum targeting ability for turn-on sensing photosensitized singlet oxygen in living cells and brain tissues.  TALANTA,      [PMID:34736688] [10.1016/j.talanta.2021.122963]