5-((1-Methylhexahydro-1H-Azepin-2-Ylidene) Amino)-Pyrazole-4-Carboxylic Acid Ethyl Ester
[CAS# 66751-73-3]

Identification

• Name: 5-((1-Methylhexahydro-1H-Azepin-2-Ylidene) Amino)-Pyrazole-4-Carboxylic Acid Ethyl Ester
• Synonyms: 3-[(1-Methyl-2-Azepanylidene)Amino]-2H-Pyrazole-4-Carboxylic Acid Ethyl Ester; 3-[(1-Methylazepan-2-Ylidene)Amino]-2H-Pyrazole-4-Carboxylic Acid Ethyl Ester; 5-((1-Methylhexahydro-1H-Azepin-2-Ylidene)Amino)Pyrazole-4-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₃H₂₀N₄O₂
• Molecular Weight: 264.33
• CAS Registry Number: 66751-73-3
• SMILES: C1=N[NH]C(=C1C(OCC)=O)N=C2N(CCCCC2)C
• InChI: 1S/C13H20N4O2/c1-3-19-13(18)10-9-14-16-12(10)15-11-7-5-4-6-8-17(11)2/h9H,3-8H2,1-2H3,(H,14,16)
• InChIKey: LERMRYMEQCLIQY-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 461.672°C at 760 mmHg (Cal.)
• Flash point: 233.011°C (Cal.)