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

CAS: 4388-97-0 Cat. No.: A151048 분자식: C₄H₉NO₂ 분자량: 103.12 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504765644
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765644
• 정식 스마일: 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
• 이성체 SMILES: C1COC(O1)CN
• 분자량: 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
    • 분류 Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.45
• 발화점(°C): 48 °C
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4388-97-0, the molecular formula is C4H9NO2, and the molecular weight is 103.12 g/mol. InChIKey QXXRLUXAOFVOTE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.