2-Amino-1,3-propanediol - ≥98% , CAS No.534-03-2

CAS: 534-03-2 Cat. No.: A100952 Molecular Weight: 91.11 Beilstein Registry Number: 4(3)846 EC Number: 208-584-0

GRADE & PURITY ≥98%

Synonyms

2-Amino-1,3-dihydroxypropane | SB83775 | [2-hydroxy-1-(hydroxymethyl)ethyl]amine | 1,3-dihydroxy-2-propylamine | AC-13723 | SEL | FT-0601229 | STR04075 | F1905-7141 | Serinol | UNII-IC94L30J8M | 2-hydroxy-1-hydroxymethyl-ethylamine | EC 208-584-0 | Serino

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Serinol activates toxin production in the attenuated cultures of Helminthosporium sacchari.
Serinol may be used to prepare the artificial nucleic acids. It may be used in the synthesis of N-acylated serinol and C16-serinol affinity gel.

Specifications

Synonyms

2-Amino-1, 3-dihydroxypropane | SB83775 | [2-hydroxy-1-(hydroxymethyl)ethyl]amine | 1, 3-dihydroxy-2-propylamine | AC-13723 | SEL | FT-0601229 | STR04075 | F1905-7141 | Serinol | UNII-IC94L30J8M | 2-hydroxy-1-hydroxymethyl-ethylamine | EC 208-584-0 | Serino

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184122
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184122
• Canonical Smiles: C(C(CO)N)O
• IUPAC Name: 2-aminopropane-1,3-diol
• InChIKey: KJJPLEZQSCZCKE-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
• Isomeric SMILES: C(C(CO)N)O
• WGK Germany: 1
• Alternate CAS: 73708-65-3
• UN Number: 3263
• Molecular Weight: 91.11
• Beilstein: 4(3)846
• Reaxy-Rn: 635683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-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 C2 atom.
• External Descriptors: a small molecule

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Sensitivity: Hygroscopic;Air sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): >110℃
• Boil Point(°C): 116°C/1mmHg
• Melt Point(°C): 52-56°C
• Molecular Weight: 91.110 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 91.0633 Da
• Monoisotopic Mass: 91.0633 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• 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

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