Etomidate Acid - ≥98% , CAS No.56649-48-0

CAS: 56649-48-0 Cat. No.: E357563 분자식: C₁₂H₁₂N₂O₂ 분자량: 216.24

등급 & 순도 ≥98%

Synonyms

Etomidate acid, (R)- | R28141 | R-28141 | Desethyletomidate | R 28141 | UNII-324NBY7A0M | (R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLICACID | Q27127293 | SCHEMBL1081228 | 1-(1R)-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid | 1-[(1R)-1-phenylethyl]

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

사양

동의어

Etomidate acid, (R)- | R28141 | R-28141 | Desethyletomidate | R 28141 | UNII-324NBY7A0M | (R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLICACID | Q27127293 | SCHEMBL1081228 | 1-(1R)-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid | 1-[(1R)-1-phenylethyl]

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

488191431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191431

정식 스마일

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O

IUPAC Name

3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid

InChIKey

RGYCCBLTSWHXIS-SECBINFHSA-N

INCHI

1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1

이성체 SMILES

C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)O

분자량

216.24

Reaxy-Rn

650707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=650707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• External Descriptors: imidazolyl carboxylic acid

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

• 감도: light sensitive；Moisture sensitive.
• 녹는점(°C): 158-161°C
• 분자량: 216.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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