N-(1)-Boc-5-aminoindazole - ≥98% , CAS No.129488-10-4

CAS: 129488-10-4 Cat. No.: N166868 Peso molecular: 233.27 Número EC: 640-614-1

GRADE & PURITY ≥98%

Synonyms

AMY9121 | N-(1)-Boc-5-aminoindazole | N-(1)-BOC-5-AMINO-INDAZOLE | SY004147 | UNII-441P620G3P | 5-Amino-1H-indazole-1-carboxylic acid, 1,1 dimethyl ethyl ester | W-205315 | AB3294 | tert-Butyl5-Amino-1H-indazole-1-carboxylate | 5-Amino-N-Boc-1H-Indazole |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AMY9121 | N-(1)-Boc-5-aminoindazole | N-(1)-BOC-5-AMINO-INDAZOLE | SY004147 | UNII-441P620G3P | 5-Amino-1H-indazole-1-carboxylic acid, 1, 1 dimethyl ethyl ester | W-205315 | AB3294 | tert-Butyl5-Amino-1H-indazole-1-carboxylate | 5-Amino-N-Boc-1H-Indazole |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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: 504768859
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768859
• Sonrisas canónicas: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N)C=N1
• IUPAC Name: tert-butyl 5-aminoindazole-1-carboxylate
• InChIKey: LRSDPIIWOZRHNJ-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N)C=N1
• Peso molecular: 233.27
• Reaxy-Rn: 14087314
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14087314&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Pyrazole carboxylic acids and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Pyrazole-1-carboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

• Peso molecular: 233.270 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 233.116 Da
• Monoisotopic Mass: 233.116 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 301.000
• 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