2-Methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine
[CAS# 676577-83-6]

Identification

• Name: 2-Methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine
• Synonyms: 4-Dimethylamino-2-methoxy-5H-1,3-diazepine
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• CAS Registry Number: 676577-83-6
• SMILES: CN(C)C1=NC(=NC=CC1)OC
• InChI: 1S/C8H13N3O/c1-11(2)7-5-4-6-9-8(10-7)12-3/h4,6H,5H2,1-3H3
• InChIKey: LFLKNPFQFGSCDE-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 229.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 92.8±25.4°C (Cal.)
• Refractive index: 1.521 (Cal.)

References

• (1): Ales Reisinger, Paul V. Bernhardt and Curt Wentrup. Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles, Org. Biomol. Chem., 2004, 2, 246.