1-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride - ≥97% , CAS No.1380300-63-9

CAS: 1380300-63-9 Cat. No.: M628770 PubChem CID: 66570376

GRADE & PURITY ≥97%

Synonyms

KS-7358 | 1-Methyl-1,8-diazaspiro[4.5]decan-2-one HCl | SY119699 | AKOS027390787 | 1-Methyl-1,8-diazaspiro[4.5]decan-2-onehydrochloride | 1380300-63-9 | MFCD22375722 | P21030 | 1-Methyl-1,8-diazaspiro[4.5]decan-2-one hydrochloride | 1-methyl-1,8-diazaspir

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

KS-7358 | 1-Methyl-1, 8-diazaspiro[4.5]decan-2-one HCl | SY119699 | AKOS027390787 | 1-Methyl-1, 8-diazaspiro[4.5]decan-2-onehydrochloride | 1380300-63-9 | MFCD22375722 | P21030 | 1-Methyl-1, 8-diazaspiro[4.5]decan-2-one hydrochloride | 1-methyl-1, 8-diazaspir

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1C(=O)CCC12CCNCC2.Cl
• IUPAC Name: 1-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
• InChIKey: LJWYXKGGRCPQJQ-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2O.ClH/c1-11-8(12)2-3-9(11)4-6-10-7-5-9;/h10H,2-7H2,1H3;1H
• Isomeric SMILES: CN1C(=O)CCC12CCNCC2.Cl
• Alternate CAS: 1609407-01-3
• PubChem CID: 66570376

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Pyrrolidine-2-ones Piperidines N-alkylpyrrolidines Tertiary carboxylic acid amides Tertiary amines Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Piperidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• 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

• Molecular Weight: 204.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 204.103 Da
• Monoisotopic Mass: 204.103 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3