Rimantadine - Moligand™,≥98% , CAS No.13392-28-4

CAS: 13392-28-4 Cat. No.: R129918 Molecular Weight: 179.3 PubChem CID: 5071

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID2023561 | Enamine_005755 | NCGC00159491-02 | Remantadine | RIMANTADINE [HSDB] | (RS)-1-(1-ADAMANTYL)ETHANAMINE | AB00959689-03 | D08483 | SCHEMBL20409367 | Maybridge1_002066 | Rimantadina | HMS1410F13 | rimantidin | UNII-0T2EF4JQTU | FT-0630403 | Tr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DTXSID2023561 | Enamine_005755 | NCGC00159491-02 | Remantadine | RIMANTADINE [HSDB] | (RS)-1-(1-ADAMANTYL)ETHANAMINE | AB00959689-03 | D08483 | SCHEMBL20409367 | Maybridge1_002066 | Rimantadina | HMS1410F13 | rimantidin | UNII-0T2EF4JQTU | FT-0630403 | Tr

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504750842
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750842
• Canonical Smiles: CC(C12CC3CC(C1)CC(C3)C2)N
• IUPAC Name: 1-(1-adamantyl)ethanamine
• InChIKey: UBCHPRBFMUDMNC-UHFFFAOYSA-N
• INCHI: 1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
• Isomeric SMILES: CC(C12CC3CC(C1)CC(C3)C2)N
• PubChem CID: 5071
• Molecular Weight: 179.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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

Chemical and Physical Properties

• Solubility: DMSO 33 mg/mL Water 33 mg/mL Ethanol 33 mg/mL
• Flash Point(°F): 99 ℃
• Flash Point(°C): 99 ℃
• Boil Point(°C): 248 ℃
• Molecular Weight: 179.300 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.167 Da
• Monoisotopic Mass: 179.167 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• 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

References

1. Kezhuo Zhang, Huadong Cai, Min Lu, Daixian Wei, Jiaqi Yin, Nengshui Ding, Weihua Lai, Juan Peng.  (2022)  Quantum dot nanobead immunochromatographic assay based on bispecific monoclonal antibody for the simultaneous detection of aflatoxin B1 and amantadine.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2022.2080188]

2. Ren Le, Qi Shuo, Khan Imran Mahmood, Wu Shijia, Duan Nuo, Wang Zhouping.  (2021)  Screening and application of a broad-spectrum aptamer for acyclic guanosine analogues.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  413  (19): (4855-4863).  [PMID:34110440] [10.1007/s00216-021-03446-w]

3. Xiaoming Ma, Shan He, Ying Zhang, Jianguo Xu, Huifang Zhang, Zhen Wang, Jun Xue, Xun Li, Wenbo Yu, Xiaolin Fan.  (2020)  Signal-off tuned signal-on (SF-T-SN) colorimetric immunoassay for amantadine using activity-metalmodulated peroxidase-mimicking nanozyme.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.127933]