Azolitmin - ≥95% , CAS No.1395-18-2

CAS: 1395-18-2 Cat. No.: B299877 분자식: C₁₀H₁₁N₃O 분자량: 189.21

GRADE & PURITY ≥95%

Synonyms

AZOLIMINE|AZOLITMIN|40828-45-3|1395-18-2|2-imino-3-methyl-1-phenylimidazolidin-4-one|2-Imino-3-methyl-1-phenyl-4-imidazolidinone|CL-90748|CL 90,748|DES29595KX|Azoliminum|Azolimina|Azolimine [USAN:INN]|Azoliminum [INN-Latin]|Azolimina [INN-Spanish]|UNII-DE

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AZOLIMINE | AZOLITMIN | 40828-45-3 | 1395-18-2 | 2-imino-3-methyl-1-phenylimidazolidin-4-one | 2-Imino-3-methyl-1-phenyl-4-imidazolidinone | CL-90748 | CL 90,748 | DES29595KX | Azoliminum | Azolimina | Azolimine [USAN:INN] | Azoliminum [INN-Latin] | Azolimina [INN-Spanish] | UNII-DE

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 488183306
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183306
• 정식 스마일: CN1C(=O)CN(C1=N)C2=CC=CC=C2
• IUPAC Name: 2-imino-3-methyl-1-phenylimidazolidin-4-one
• InChIKey: KPMDCTAAOGEIKO-UHFFFAOYSA-N
• INCHI: 1S/C10H11N3O/c1-12-9(14)7-13(10(12)11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
• 이성체 SMILES: CN1C(=O)CN(C1=N)C2=CC=CC=C2
• 분자량: 189.21
• Reaxy-Rn: 882405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Alpha amino acids and derivatives Imidazolidinones Benzene and substituted derivatives Guanidines Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Guanidine - Carboxylic acid derivative - Carboximidamide - Azacycle - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 189.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.09 Da
• Monoisotopic Mass: 189.09 Da
• Topological Polar Surface Area: 47.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 258.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1395-18-2, the molecular formula is C10H11N3O, and the molecular weight is 189.21 g/mol. InChIKey KPMDCTAAOGEIKO-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.