1-benzyl-5,5-dimethylpyrrolidin-3-ol - ≥97% , CAS No.1903539-91-2

CAS: 1903539-91-2 Cat. No.: B630984 Molecular Weight: 205.3 PubChem CID: 117543891

GRADE & PURITY ≥97%

Synonyms

1-benzyl-5,5-dimethylpyrrolidin-3-ol | 1903539-91-2 | starbld0049843 | SCHEMBL23377484 | MFCD30803117 | P20915

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-benzyl-5, 5-dimethylpyrrolidin-3-ol | 1903539-91-2 | starbld0049843 | SCHEMBL23377484 | MFCD30803117 | P20915

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(CC(CN1CC2=CC=CC=C2)O)C
• IUPAC Name: 1-benzyl-5,5-dimethylpyrrolidin-3-ol
• InChIKey: QHHWNZGAHJFNBO-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO/c1-13(2)8-12(15)10-14(13)9-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3
• Isomeric SMILES: CC1(CC(CN1CC2=CC=CC=C2)O)C
• PubChem CID: 117543891
• Molecular Weight: 205.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines N-alkylpyrrolidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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