1-Methylazetidin-3-amine - ≥97% , CAS No.959957-92-7

CAS: 959957-92-7 Cat. No.: M178564 分子式: C₄H₁₀N₂ 分子量: 86.14

GRADE & PURITY ≥97%

Synonyms

A845526 | 1-Methyl-azetidin-3-ylamine | FT-0684641 | 1-methyl-3-azetidinamine | 1-Methylazetidin-3-amine | MFCD11849029 | 3-Amino-1-methylazetidine | SY022771 | J-523672 | AKOS013072529 | EN300-225236 | BIWZYRJXBPPLLA-UHFFFAOYSA-N | PB23920 | DTXSID405957

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

A845526 | 1-Methyl-azetidin-3-ylamine | FT-0684641 | 1-methyl-3-azetidinamine | 1-Methylazetidin-3-amine | MFCD11849029 | 3-Amino-1-methylazetidine | SY022771 | J-523672 | AKOS013072529 | EN300-225236 | BIWZYRJXBPPLLA-UHFFFAOYSA-N | PB23920 | DTXSID405957

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• カノニカル・スマイル: CN1CC(C1)N
• IUPAC Name: 1-methylazetidin-3-amine
• InChIKey: BIWZYRJXBPPLLA-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2/c1-6-2-4(5)3-6/h4H,2-3,5H2,1H3
• 異性体SMILES: CN1CC(C1)N
• 代替CAS番号: 959918-41-3；1139634-75-5
• 分子量: 86.14
• Reaxy-Rn: 15796082
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15796082&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - Azetidine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 86.140 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0844 Da
• Monoisotopic Mass: 86.0844 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 47.500
• 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