2-Methyl-2-propanyl {1-[2-amino-1-(3-phenoxyphenyl)ethyl]-3-pyrrolidinyl}carbamate
[CAS# 886365-03-3]

Identification

• Name: 2-Methyl-2-propanyl {1-[2-amino-1-(3-phenoxyphenyl)ethyl]-3-pyrrolidinyl}carbamate
• Synonyms: {1-[2-Amino-1-(3-phenoxy-phenyl)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester; 3-N-Boc-Amino-1-[2-amino-1-(3-phenoxy-phenyl)-; 3-N-Boc-Amino-1-[2-amino-1-(3-phenoxy-phenyl)-ethyl]-pyrrolidine
• Molecular Formula: C₂₃H₃₁N₃O₃
• Molecular Weight: 397.51
• CAS Registry Number: 886365-03-3
• SMILES: NCC(c2cccc(Oc1ccccc1)c2)N3CCC(NC(=O)OC(C)(C)C)C3
• InChI: 1S/C23H31N3O3/c1-23(2,3)29-22(27)25-18-12-13-26(16-18)21(15-24)17-8-7-11-20(14-17)28-19-9-5-4-6-10-19/h4-11,14,18,21H,12-13,15-16,24H2,1-3H3,(H,25,27)
• InChIKey: NSQRQRJDMLTDCH-UHFFFAOYSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 527.379°C at 760 mmHg (Cal.)
• Flash point: 272.749°C (Cal.)
• Refractive index: 1.594 (Cal.)