1′-methyl-3,4-dihydrospiro[chromene-2,4′-piperidin]-4-amine hydrochloride - ≥97% , CAS No.70505-90-7

CAS: 70505-90-7 Cat. No.: M332100 Molecular Weight: 268.782 EC Number: 978-344-4 PubChem CID: 43810428

GRADE & PURITY ≥97%

Synonyms

1'-Methylspiro[chroman-2,4'-piperidin]-4-amine hydrochloride | 1193389-01-3 | 1'-Methyl-3,4-dihydrospiro[chromene-2,4'-piperidin]-4-amine, HCl | 1'-methyl-3,4-dihydrospiro[chromene-2,4'-piperidin]-4-amine hydrochloride | 1'-Methyl-3,4-dihydrospiro[1-benzo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1'-Methylspiro[chroman-2, 4'-piperidin]-4-amine hydrochloride | 1193389-01-3 | 1'-Methyl-3, 4-dihydrospiro[chromene-2, 4'-piperidin]-4-amine, HCl | 1'-methyl-3, 4-dihydrospiro[chromene-2, 4'-piperidin]-4-amine hydrochloride | 1'-Methyl-3, 4-dihydrospiro[1-benzo

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1CCC2(CC1)CC(C3=CC=CC=C3O2)N.Cl
• IUPAC Name: 1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
• InChIKey: NNVNAJGCZFCILW-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O.ClH/c1-16-8-6-14(7-9-16)10-12(15)11-4-2-3-5-13(11)17-14;/h2-5,12H,6-10,15H2,1H3;1H
• Isomeric SMILES: CN1CCC2(CC1)CC(C3=CC=CC=C3O2)N.Cl
• PubChem CID: 43810428
• Molecular Weight: 268.782

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Aralkylamines Alkyl aryl ethers Piperidines Benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Aralkylamine - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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: 268.780 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 268.134 Da
• Monoisotopic Mass: 268.134 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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