Formula |
C26H34N2O4 |
IUPAC Name |
2-[4-[2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid |
Molecular Mass |
438.559 g·mol−1 |
Heat of Formation |
-576.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.58 ± 1.08 D |
Volume |
557.09 Å 3 |
Surface Area |
497.33 Å 2 |
HOMO Energy |
-8.28 ± 0.55 eV |
LUMO Energy |
2.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-propanoic acid
- 2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-propionic acid
- 2-[4-[2-(1,3-benzoxazol-2-yl-heptylamino)ethyl]phenoxy]-2-methylpropanoic acid
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InChIKey |
MMVUCPZZXMPIPE-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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