N-Boc-ethanolamine - ≥96% , CAS No.26690-80-2

CAS: 26690-80-2 Cat. No.: B106014 分子式: C₇H₁₅NO₃ 分子量: 161.2 Beilstein Registry Number: 2353995 EC番号: 675-176-0

GRADE & PURITY ≥96%

Synonyms

AB3416 | BCP04402 | tert-Butyl N-(2-hydroxyethyl)carbamate | tert-butyl N-(2-hydroxyethyl)-carbamate | tert-butyl (2-hydroxyethyl)carbamate | tert-butyl (2-hydroxyethyl)-carbamate | 2-(tert-butoxycarbonylamino)ethanol | tert-butyl(2-hydroxyethyl)carbamate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

AB3416 | BCP04402 | tert-Butyl N-(2-hydroxyethyl)carbamate | tert-butyl N-(2-hydroxyethyl)-carbamate | tert-butyl (2-hydroxyethyl)carbamate | tert-butyl (2-hydroxyethyl)-carbamate | 2-(tert-butoxycarbonylamino)ethanol | tert-butyl(2-hydroxyethyl)carbamate

仕様と純度

≥96%

保管条件

Store at 2-8°C

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

≥96%

名前と識別子

• パブケム・シド: 488192360
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192360
• カノニカル・スマイル: CC(C)(C)OC(=O)NCCO
• IUPAC Name: tert-butyl N-(2-hydroxyethyl)carbamate
• InChIKey: GPTXCAZYUMDUMN-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
• 異性体SMILES: CC(C)(C)OC(=O)NCCO
• WGKドイツ: 2
• UN番号: 2810
• 分子量: 161.2
• Beilstein: 2353995
• Reaxy-Rn: 2353995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353995&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Organic carbonic acids and derivatives Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Carbonic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

• 屈折率: 1.449
• 引火点（°F）: 228.2 °F
• 引火点（°C）: >230°C
• 沸点（°C）: 92°C/0.3mmHg
• 分子量: 161.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 161.105 Da
• Monoisotopic Mass: 161.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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: 1