3-Aminopropyl Monophosphate - ≥95% , CAS No.1071-28-9

CAS: 1071-28-9 Cat. No.: A338244 Molecular Weight: 155.09

GRADE & PURITY ≥95%

Synonyms

4-04-00-01628 (Beilstein Handbook Reference) | DTXSID10147910 | AMINOPROPYLDIHYDROGENPHOSPHATE | A801589 | 3-Aminopropyl monophosphate | BAA07128 | SCHEMBL29396 | 3-Aminopropyl dihydrogen phosphate | Z1198158583 | 3-Aminopropyldihydrogenphosphate | Q27092

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-04-00-01628 (Beilstein Handbook Reference) | DTXSID10147910 | AMINOPROPYLDIHYDROGENPHOSPHATE | A801589 | 3-Aminopropyl monophosphate | BAA07128 | SCHEMBL29396 | 3-Aminopropyl dihydrogen phosphate | Z1198158583 | 3-Aminopropyldihydrogenphosphate | Q27092

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756838
• Canonical Smiles: C(CN)COP(=O)(O)O
• IUPAC Name: 3-aminopropyl dihydrogen phosphate
• InChIKey: KUQZVISZELWDNZ-UHFFFAOYSA-N
• INCHI: 1S/C3H10NO4P/c4-2-1-3-8-9(5,6)7/h1-4H2,(H2,5,6,7)
• Isomeric SMILES: C(CN)COP(=O)(O)O
• Molecular Weight: 155.09
• Reaxy-Rn: 1763687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Monoalkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Monoalkyl phosphates
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkyl phosphate - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 189-190° C (dec.)
• Molecular Weight: 155.090 g/mol
• XLogP3: -4.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 155.035 Da
• Monoisotopic Mass: 155.035 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 110.000
• 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