4-(Boc-amino)-1-butanol - ≥96%(GC) , CAS No.75178-87-9

CAS: 75178-87-9 Cat. No.: T134430 Peso molecular: 189.26 Número EC: 864-142-2 PubChem CID: 545141

GRADE & PURITY ≥96%(GC)

Synonyms

4-(tert-Butoxycarbonylamino)-1-butanol | 4-(Boc-amino)-1-butanol | tert-Butyl (4-hydroxybutyl)carbamate | N-Boc-4-aminobutanol | tert-Butyl N-(4-hydroxybutyl)carbamate | N-(4-Hydroxybutyl)carbamic Acid tert-Butyl Ester | tert-Butyl 4-hydroxybutylcarbamate

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Building block for spermidine analogues

Specifications

Sinónimos

4-(tert-Butoxycarbonylamino)-1-butanol | 4-(Boc-amino)-1-butanol | tert-Butyl (4-hydroxybutyl)carbamate | N-Boc-4-aminobutanol | tert-Butyl N-(4-hydroxybutyl)carbamate | N-(4-Hydroxybutyl)carbamic Acid tert-Butyl Ester | tert-Butyl 4-hydroxybutylcarbamate

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504759193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759193
• Sonrisas canónicas: CC(C)(C)OC(=O)NCCCCO
• IUPAC Name: tert-butyl N-(4-hydroxybutyl)carbamate
• InChIKey: LIYMTLVBAVHPBU-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)
• Isómeros SMILES: CC(C)(C)OC(=O)NCCCCO
• WGK Alemania: 3
• PubChem CID: 545141
• Peso molecular: 189.26
• Reaxy-Rn: 3603307

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.46
• Punto de fusión (°C): 29 °C
• Peso molecular: 189.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 189.136 Da
• Monoisotopic Mass: 189.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• 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