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

CAS: 26690-80-2 Cat. No.: B106014 Molecular Weight: 161.2 Beilstein Registry Number: 2353995 EC Number: 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

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

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Pubchem Sid: 488192360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192360
• Canonical Smiles: 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)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCO
• WGK Germany: 2
• UN Number: 2810
• Molecular Weight: 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
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.449
• Flash Point(°F): 228.2 °F
• Flash Point(°C): >230°C
• Boil Point(°C): 92°C/0.3mmHg
• Molecular Weight: 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

References

1. Yongjing Cao, Juan Li, Qiangwei Liang, Jiayu Yang, Xiaojie Zhang, Juntao Zhang, Min An, Jiawei Bi, Yanhua Liu.  (2023)  Tumor Microenvironment Sequential Drug/Gene Delivery Nanosystem for Realizing Multistage Boosting of Cancer–Immunity Cycle on Cancer Immunotherapy.  ACS Applied Materials & Interfaces,      [PMID:37963093] [10.1021/acsami.3c11394]

2. Huahai Yu, Ying Piao, Yifan Zhang, Jiajia Xiang, Shiqun Shao, Jianbin Tang, Zhuxian Zhou, Youqing Shen.  (2023)  Cell-Selective Binding Zwitterionic Polymeric Micelles Boost the Delivery Efficiency of Antibiotics.  ACS Nano,      [PMID:37933869] [10.1021/acsnano.3c05181]

3. Yuanxiu Hong, Yuejing Xi, Junxue Zhang, Dongdong Wang, Hailong Zhang, Ning Yan, Shisheng He, Jianzhong Du.  (2018)  Polymersome–hydrogel composites with combined quick and long-term antibacterial activities.  Journal of Materials Chemistry B,  6  (39): (6311-6321).  [PMID:32254621] [10.1039/C8TB01608A]

4. Sun Lu, Qi Jun, Ding Lei, Wang Zixuan, Ji Guofeng, Zhang Ping.  (2024)  Ultrasound-triggered nano delivery of lenvatinib for selective immunotherapy treatment against hepatocellular carcinoma.  Scientific Reports,  14  (1): (1-11).  [PMID:39521911] [10.1038/s41598-024-79069-9]