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Home >> Chemical Listing >> Page 2974 >> 2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid

2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
[CAS# 904817-78-3]

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Identification
Name 2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
Synonyms 2-{4-[(tert-butoxy)carbonyl]-3-methylpiperazin-1-yl}pyridine-3-carboxylic acid; 4-(3-Carboxy-pyridin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
Molecular Structure CAS#: 904817-78-3, 2-(3-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)nicotinic acid
Molecular Formula C16H23N3O4
Molecular Weight 321.37
CAS Registry Number 904817-78-3
SMILES O=C(OC(C)(C)C)N2C(CN(c1ncccc1C(=O)O)CC2)C
InChI 1S/C16H23N3O4/c1-11-10-18(13-12(14(20)21)6-5-7-17-13)8-9-19(11)15(22)23-16(2,3)4/h5-7,11H,8-10H2,1-4H3,(H,20,21)
InChIKey PZDHQKRJVKDSKS-UHFFFAOYSA-N
Properties
Density 1.21g/cm3 (Cal.)
Boiling point 481.466°C at 760 mmHg (Cal.)
Flash point 244.982°C (Cal.)
Refractive index 1.549 (Cal.)
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