Methyl 3-[(2,2-Dimethylbutanoyl)Amino]-5-(3-Methylbutyl)Benzoate
[CAS# 55044-20-7]

Identification

• Name: Methyl 3-[(2,2-Dimethylbutanoyl)Amino]-5-(3-Methylbutyl)Benzoate
• Synonyms: Benzoic acid, 3-[(2,2-dimethyl-1-oxobutyl)amino]-5-(3-methylbutyl)-, methyl ester; Methyl 3-[(2,2-dimethylbutanoyl)amino]-5-isopentylbenzoate; Methyl 3-[(2,2-dimethylbutanoyl)amino]-5-isopentylbenzoate #
• Molecular Formula: C₁₉H₂₉NO₃
• Molecular Weight: 319.44
• CAS Registry Number: 55044-20-7
• SMILES: O=C(Nc1cc(cc(c1)CCC(C)C)C(=O)OC)C(C)(C)CC
• InChI: 1S/C19H29NO3/c1-7-19(4,5)18(22)20-16-11-14(9-8-13(2)3)10-15(12-16)17(21)23-6/h10-13H,7-9H2,1-6H3,(H,20,22)
• InChIKey: UEDYNURRYWAWOG-UHFFFAOYSA-N

Properties

• Density: 1.033g/cm³ (Cal.)
• Boiling point: 467.81°C at 760 mmHg (Cal.)
• Flash point: 236.723°C (Cal.)