4-Amino-7-methyl-3,4-dihydro-1-benzothiepin-5(2H)-one
[CAS# 801213-94-5]

Identification

• Name: 4-Amino-7-methyl-3,4-dihydro-1-benzothiepin-5(2H)-one
• Synonyms: 4-amino-7-methyl-3,4-dihydrobenzo[b]thiepin-5(2H)-one
• Molecular Formula: C₁₁H₁₃NOS
• Molecular Weight: 207.29
• CAS Registry Number: 801213-94-5
• SMILES: Cc1ccc2c(c1)C(=O)C(CCS2)N
• InChI: 1S/C11H13NOS/c1-7-2-3-10-8(6-7)11(13)9(12)4-5-14-10/h2-3,6,9H,4-5,12H2,1H3
• InChIKey: IZVAFVKEUYSUBG-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 376.338°C at 760 mmHg (Cal.)
• Flash point: 181.403°C (Cal.)
• Refractive index: 1.603 (Cal.)