2-(Aminomethyl)-1,3-dioxolane - ≥98% , CAS No.4388-97-0

CAS: 4388-97-0 Cat. No.: A151048 Molecular Weight: 103.12 EC Number: 672-753-9

GRADE & PURITY ≥98%

Synonyms

FT-0735326 | SCHEMBL94099 | A1179 | SY031106 | 1,3-dioxolane-2-methanamine | MFCD00142862 | AKOS006229588 | F50673 | starbld0018945 | (1,3-Dioxolan-2-yl)methanamine | (1,3-Dioxolan-2-ylmethyl)amine | BS-22758 | QXXRLUXAOFVOTE-UHFFFAOYSA-N | 1-(1,3-dioxola

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0735326 | SCHEMBL94099 | A1179 | SY031106 | 1, 3-dioxolane-2-methanamine | MFCD00142862 | AKOS006229588 | F50673 | starbld0018945 | (1, 3-Dioxolan-2-yl)methanamine | (1, 3-Dioxolan-2-ylmethyl)amine | BS-22758 | QXXRLUXAOFVOTE-UHFFFAOYSA-N | 1-(1, 3-dioxola

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765644
• Canonical Smiles: C1COC(O1)CN
• IUPAC Name: 1,3-dioxolan-2-ylmethanamine
• InChIKey: QXXRLUXAOFVOTE-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2/c5-3-4-6-1-2-7-4/h4H,1-3,5H2
• Isomeric SMILES: C1COC(O1)CN
• Molecular Weight: 103.12
• Reaxy-Rn: 773790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Oxacyclic compounds Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxolane - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.45
• Flash Point(°C): 48 °C
• Molecular Weight: 103.120 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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