3-(Isopropylamino)-1,2-Propanediol - ≥98% , CAS No.6452-57-9

CAS: 6452-57-9 Cat. No.: I304271 Peso molecular: 133.19 Número EC: 229-255-8

GRADE & PURITY ≥98%

Synonyms

FT-0695411 | SR-01000945042-1 | Z385465736 | 3-(Isopropylamino)propane-1,2-diol | 308N9VZ214 | DTXSID60983148 | FT-0695421 | (+/-)-3-ISOPROPYLAMINO-1,2-PROPANEDIOL | SR-01000945042 | EINECS 229-255-8 | METOPROLOL SUCCINATE IMPURITY N [EP IMPURITY] | 1,2-d

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FT-0695411 | SR-01000945042-1 | Z385465736 | 3-(Isopropylamino)propane-1, 2-diol | 308N9VZ214 | DTXSID60983148 | FT-0695421 | (+/-)-3-ISOPROPYLAMINO-1, 2-PROPANEDIOL | SR-01000945042 | EINECS 229-255-8 | METOPROLOL SUCCINATE IMPURITY N [EP IMPURITY] | 1, 2-d

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: 504756675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756675
• Sonrisas canónicas: CC(C)NCC(CO)O
• IUPAC Name: 3-(propan-2-ylamino)propane-1,2-diol
• InChIKey: YKBZGEJJKPNRSI-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3
• Isómeros SMILES: CC(C)NCC(CO)O
• Peso molecular: 133.19
• Reaxy-Rn: 1919362
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1919362&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Secondary alcohols 1,2-diols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
• 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

• Solubilidad: Chloroform, DMSO, Methanol
• Peso molecular: 133.190 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 66.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1