3-Hydroxy-1-methylazetidine - ≥98% , CAS No.111043-48-2

CAS: 111043-48-2 Cat. No.: H586376 Summenformel: C4H10ClNO Molekulargewicht: 123.58 EG-Nummer: 814-010-5

GRADE & PURITY ≥98%

Synonyms

1-METHYL-AZETIDIN-3-OL | 1-Methylazetidin-3-ol | AKOS012586367 | DTXSID20550335 | A802279 | AS-59026 | 3-Azetidinol, 1-methyl- | 3-Hydroxy-1-methylazetidine | BCP24162 | SB10067 | EN300-110010 | MFCD10565802 | W-204748 | AM802928 | 1-methyl-3-azetidinol |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

1-METHYL-AZETIDIN-3-OL | 1-Methylazetidin-3-ol | AKOS012586367 | DTXSID20550335 | A802279 | AS-59026 | 3-Azetidinol, 1-methyl- | 3-Hydroxy-1-methylazetidine | BCP24162 | SB10067 | EN300-110010 | MFCD10565802 | W-204748 | AM802928 | 1-methyl-3-azetidinol |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508807396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807396
• Kanonisches Lächeln: CN1CC(C1)O
• IUPAC Name: 1-methylazetidin-3-ol
• InChIKey: IJVQAJHYYRVZNE-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3
• Isomere SMILES: CN1CC(C1)O
• Molekulargewicht: 123.58
• Reaxy-Rn: 1445995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445995&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azetidine - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 87.120 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.0684 Da
• Monoisotopic Mass: 87.0684 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 49.500
• 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: 1