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

CAS: 82160-07-4 Cat. No.: M121134 Molecular Weight: 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

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN1CCC[C@H]1CNC2=CC=CC3=CC=CC=C32
• PubChem CID: 11118172
• Molecular Weight: 240.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 190°C/3mmHg
• Melt Point(°C): 66°C
• Molecular Weight: 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