(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine - ≥97% , CAS No.82160-07-4

CAS: 82160-07-4 Cat. No.: M121134 Peso molecular: 240.35 PubChem CID: 11118172

GRADE & PURITY ≥97%

Synonyms

SCHEMBL6078778 | AKOS015911189 | (S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine | N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]naphthalen-1-amine | BS-22581 | XNUJQYGTHGYURE-AWEZNQCLSA-N | AKOS015850695 | DTXSID50455869 | (S)-N-(1-Methyl-2-pyrrolidinylm

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL6078778 | AKOS015911189 | (S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine | N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]naphthalen-1-amine | BS-22581 | XNUJQYGTHGYURE-AWEZNQCLSA-N | AKOS015850695 | DTXSID50455869 | (S)-N-(1-Methyl-2-pyrrolidinylm

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN1CCCC1CNC2=CC=CC3=CC=CC=C32
• IUPAC Name: N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]naphthalen-1-amine
• InChIKey: XNUJQYGTHGYURE-AWEZNQCLSA-N
• INCHI: 1S/C16H20N2/c1-18-11-5-8-14(18)12-17-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3/t14-/m0/s1
• Isómeros SMILES: CN1CCC[C@H]1CNC2=CC=CC3=CC=CC=C32
• PubChem CID: 11118172
• Peso molecular: 240.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Secondary alkylarylamines N-alkylpyrrolidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Secondary aliphatic/aromatic amine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 190°C/3mmHg
• Punto de fusión (°C): 66°C
• Peso molecular: 240.340 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.163 Da
• Monoisotopic Mass: 240.163 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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