(3R)-1-methylpyrrolidin-3-amine - ≥97% , CAS No.457097-75-5

CAS: 457097-75-5 Cat. No.: R176528 Peso molecular: 100.165 Número EC: 820-814-7

GRADE & PURITY ≥97%

Synonyms

(R)-1-METHYL-PYRROLIDIN-3-YLAMINE | (R)-1-methylpyrrolidin-3-ylamine | (3R)-1-methylpyrrolidin-3-amine | AKOS015851032 | A826880 | (R)-1-Methylpyrrolidin-3-amine | FD9067 | UNHOPMIDKWXFMF-RXMQYKEDSA-N | SCHEMBL358883 | (3R)-1-methyl-3-pyrrolidinamine | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-1-METHYL-PYRROLIDIN-3-YLAMINE | (R)-1-methylpyrrolidin-3-ylamine | (3R)-1-methylpyrrolidin-3-amine | AKOS015851032 | A826880 | (R)-1-Methylpyrrolidin-3-amine | FD9067 | UNHOPMIDKWXFMF-RXMQYKEDSA-N | SCHEMBL358883 | (3R)-1-methyl-3-pyrrolidinamine | MF

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(C1)N
• IUPAC Name: (3R)-1-methylpyrrolidin-3-amine
• InChIKey: UNHOPMIDKWXFMF-RXMQYKEDSA-N
• INCHI: 1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m1/s1
• Isómeros SMILES: CN1CC[C@H](C1)N
• Peso molecular: 100.165
• Reaxy-Rn: 471179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• Peso molecular: 100.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 63.100
• 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