Ethyl 4-hydrazinylbenzoate - ≥95% , CAS No.14685-90-6

CAS: 14685-90-6 Cat. No.: E587307 分子式: C₉H₁₂N₂O₂ 分子量: 180.21 EC番号: 675-301-9

GRADE & PURITY ≥95%

Synonyms

AB7215 | ethyl 4-hydrazinobenzoate | Oprea1_743500 | 4-Hydrazinobenzoic acid ethyl ester | 4-Hydrazino-benzoic acid ethyl ester | AKOS003673104 | SB33719 | MFCD00278571 | DTXSID70355170 | Benzoic acid, 4-hydrazino-, ethyl ester | HMS1577J01 | BBL025632 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

同義語

AB7215 | ethyl 4-hydrazinobenzoate | Oprea1_743500 | 4-Hydrazinobenzoic acid ethyl ester | 4-Hydrazino-benzoic acid ethyl ester | AKOS003673104 | SB33719 | MFCD00278571 | DTXSID70355170 | Benzoic acid, 4-hydrazino-, ethyl ester | HMS1577J01 | BBL025632 |

仕様と純度

≥95%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCOC(=O)C1=CC=C(C=C1)NN
• IUPAC Name: ethyl 4-hydrazinylbenzoate
• InChIKey: JYYDHGMTXHCSKZ-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3
• 異性体SMILES: CCOC(=O)C1=CC=C(C=C1)NN
• 分子量: 180.21
• Reaxy-Rn: 880377
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenylhydrazines Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenylhydrazine - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

化学的性質と物理的性質

• 分子量: 180.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 180.09 Da
• Monoisotopic Mass: 180.09 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• 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