3-Methylamino-1,2-propanediol - ≥98%(GC) , CAS No.40137-22-2

CAS: 40137-22-2 Cat. No.: M157918 Molecular Weight: 105.14 Beilstein Registry Number: 4302 EC Number: 254-809-0

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00082732 | CL4501 | InChI=1/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3 | 2,3-dihydroxy-propyl-methylamine | 3-Methylamino-propane-1,2-diol | 3-methylaminopropane-1,2-diol | EC 254-809-0 | SY294795 | 3-methylamino-1,2-dihydroxypropane | A6707 | N-methyl-2

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application：

3-Methylamino-1,2-propanediol (cas# 40137-22-2) is a useful research chemical.

Specifications

Synonyms

MFCD00082732 | CL4501 | InChI=1/C4H11NO2/c1-5-2-4(7)3-6/h4-7H, 2-3H2, 1H3 | 2, 3-dihydroxy-propyl-methylamine | 3-Methylamino-propane-1, 2-diol | 3-methylaminopropane-1, 2-diol | EC 254-809-0 | SY294795 | 3-methylamino-1, 2-dihydroxypropane | A6707 | N-methyl-2

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504761073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761073
• Canonical Smiles: CNCC(CO)O
• IUPAC Name: 3-(methylamino)propane-1,2-diol
• InChIKey: WOMTYMDHLQTCHY-UHFFFAOYSA-N
• INCHI: 1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3
• Isomeric SMILES: CNCC(CO)O
• Molecular Weight: 105.14
• Beilstein: 4302
• Reaxy-Rn: 1733341
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733341&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible
• Sensitivity: air sensitive
• Refractive Index: 1.4745
• Flash Point(°F): 152°C
• Flash Point(°C): 152°C
• Boil Point(°C): 102°C/4mmHg
• Molecular Weight: 105.140 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 105.079 Da
• Monoisotopic Mass: 105.079 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 40.700
• 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