N-Boc-1,3-diaminopropane hydrochloride - ≥98% , CAS No.127346-48-9

CAS: 127346-48-9 Cat. No.: B131606 Peso molecular: 210.71

GRADE & PURITY ≥98%

Synonyms

Carbamic acid, N-(3-aminopropyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1) | N-(3-aminopropyl)carbamic acid tert-butyl ester hydrochloride | SY071324 | tert-butyl N-(3-aminopropyl)carbamate;hydrochloride | DTXSID00621153 | N-BOC-1,3-DIAMINO PROPANE-H

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Carbamic acid, N-(3-aminopropyl)-, 1, 1-dimethylethyl ester, hydrochloride (1:1) | N-(3-aminopropyl)carbamic acid tert-butyl ester hydrochloride | SY071324 | tert-butyl N-(3-aminopropyl)carbamate;hydrochloride | DTXSID00621153 | N-BOC-1, 3-DIAMINO PROPANE-H

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200013
• Sonrisas canónicas: CC(C)(C)OC(=O)NCCCN.Cl
• IUPAC Name: tert-butyl N-(3-aminopropyl)carbamate;hydrochloride
• InChIKey: WUXOJNUZYOFBMI-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5-9;/h4-6,9H2,1-3H3,(H,10,11);1H
• Isómeros SMILES: CC(C)(C)OC(=O)NCCCN.Cl
• Peso molecular: 210.71
• Reaxy-Rn: 3627894
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3627894&ln=

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 oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 159-161°C
• Peso molecular: 210.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.114 Da
• Monoisotopic Mass: 210.114 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 140.000
• 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: 2

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