Pyridin-3-Ylmethyl N-[[4-[(2-Aminophenyl)Carbamoyl]Phenyl]Methyl]Carbamate
[CAS# 442532-99-2]

Identification

• Name: Pyridin-3-Ylmethyl N-[[4-[(2-Aminophenyl)Carbamoyl]Phenyl]Methyl]Carbamate
• Synonyms: 3-Pyridylmethyl N-[[4-[(2-Aminophenyl)Carbamoyl]Phenyl]Methyl]Carbamate; N-[[4-[[(2-Aminophenyl)Amino]-Oxomethyl]Phenyl]Methyl]Carbamic Acid 3-Pyridylmethyl Ester; N-[4-[(2-Aminophenyl)Carbamoyl]Benzyl]Carbamic Acid 3-Pyridylmethyl Ester
• Molecular Formula: C₂₁H₂₀N₄O₃
• Molecular Weight: 376.41
• CAS Registry Number: 442532-99-2
• SMILES: C2=C(C(=O)NC1=C(N)C=CC=C1)C=CC(=C2)CNC(OCC3=CN=CC=C3)=O
• InChI: 1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
• InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 566.738°C at 760 mmHg (Cal.)
• Flash point: 296.553°C (Cal.)

References

• (1): Hutt et al.. Reduced Histone Deacetylase 7 Activity Restores Function to Misfolded CFTR in Cystic Fibrosis, Nature Chemical Biology, 2009