Isopropanolamine Phosphate - ≥98%(T) , CAS No.67952-32-3

CAS: 67952-32-3 Cat. No.: I157481 Fórmula: C₆H₁₈N₂O₂·H₃O₄P Peso molecular: 248.22 Número CE: 267-885-5

GRAU & PUREZA ≥98%(T)

Synonyms

Phosphoric acid--1-aminopropan-2-ol (1/1) | Isopropanolamine Phosphate | 2-Propanol, 1-amino-, phosphate (1:?) | DTXSID60987343 | D91104 | MFCD00070562 | SCHEMBL182991 | IsopropanolaminePhosphate | 1-aminopropan-2-ol phosphate | 2-Propanol, 1-amino-, phos

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Phosphoric acid--1-aminopropan-2-ol (1/1) | Isopropanolamine Phosphate | 2-Propanol, 1-amino-, phosphate (1:?) | DTXSID60987343 | D91104 | MFCD00070562 | SCHEMBL182991 | IsopropanolaminePhosphate | 1-aminopropan-2-ol phosphate | 2-Propanol, 1-amino-, phos

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(T)

Nomes e identificadores

Pubchem Sid

488188475

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188475

Sorrisos canónicos

CC(CN)O.OP(=O)(O)O

IUPAC Name

1-aminopropan-2-ol;phosphoric acid

InChIKey

NSTLSXSJOBWQLC-UHFFFAOYSA-N

INCHI

1S/C3H9NO.H3O4P/c1-3(5)2-4;1-5(2,3)4/h3,5H,2,4H2,1H3;(H3,1,2,3,4)

SMILES isoméricas

CC(CN)O.OP(=O)(O)O

Peso molecular

248.22

Reaxy-Rn

33315416

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33315416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoric acids and derivatives
• Alternative Parents: Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic phosphoric acid derivative - Secondary alcohol - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
• 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

Propriedades químicas e físicas

• Peso molecular: 173.110 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 173.045 Da
• Monoisotopic Mass: 173.045 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 72.600
• 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: 2

XLogP3