Boc-8-aoc-oh - ≥95% , CAS No.30100-16-4

CAS: 30100-16-4 Cat. No.: B183526 分子式: C₁₃H₂₅NO₄ 分子量: 259.34 Beilstein Registry Number: 2268970 EC番号: 856-207-9

GRADE & PURITY ≥95%

Synonyms

DTXSID30338080 | Boc-8-aminooctanoic acid | 8-[(tert-Butoxycarbonyl)amino]octanoic acid # | N-Boc-8-amino-octanoic acid | 8-(tert-Butoxycarbonylamino)octanoic acid | EN300-264166 | 8-Aminooctanoic acid, N-t-butoxycarbonyl- | BocNH(CH2)7CO2H | SY066382 | O

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

DTXSID30338080 | Boc-8-aminooctanoic acid | 8-[(tert-Butoxycarbonyl)amino]octanoic acid # | N-Boc-8-amino-octanoic acid | 8-(tert-Butoxycarbonylamino)octanoic acid | EN300-264166 | 8-Aminooctanoic acid, N-t-butoxycarbonyl- | BocNH(CH2)7CO2H | SY066382 | O

仕様と純度

≥95%

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

≥95%

名前と識別子

パブケム・シド

528763497

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528763497

カノニカル・スマイル

CC(C)(C)OC(=O)NCCCCCCCC(=O)O

IUPAC Name

8-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid

InChIKey

FPRZYWCRQHFPSX-UHFFFAOYSA-N

INCHI

1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)

異性体SMILES

CC(C)(C)OC(=O)NCCCCCCCC(=O)O

WGKドイツ

3

分子量

259.34

Beilstein

2268970

Reaxy-Rn

2268966

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2268966&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Amino fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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: 259.339 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 259.178 Da
• Monoisotopic Mass: 259.178 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 258.000
• 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