Formula |
C4H6N2O2 |
IUPAC Name |
5-(aminomethyl)isoxazol-3-one |
Molecular Mass |
114.103 g·mol−1 |
Heat of Formation |
-100.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.83 ± 1.08 D |
Volume |
129.18 Å 3 |
Surface Area |
141.23 Å 2 |
HOMO Energy |
-10.02 ± 0.55 eV |
LUMO Energy |
-0.59 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3(2h)-isoxazolone, 5-(aminomethyl)-
- 3-hydroxy-5-aminomethyl-isoxazole
- 3-hydroxy-5-aminomethylisoxazole
- 3-hydroxy-5-aminomethylisoxazole-agarin
- 3-isoxazolol, 5-(aminomethyl)-
- 5-(aminomethyl)-1,2-oxazol-3-one
- 5-(aminomethyl)-3(2h)-isoxazolone
- 5-(aminomethyl)-3-isoxazolol
- 5-(aminomethyl)-3-isoxazolone
- 5-(aminomethyl)isoxazol-3-ol hydrate
- 5-aminomethyl-3-hydroxy-isoxazole
- 5-aminomethyl-3-hydroxyisoxazole
- 5-aminomethyl-3-isoxazolol
- 5-aminomethyl-3-isoxyzole
- agarin
- agarine
- biomol-nt_000255
- bpbio1_000926
- pantherin
- pantherine
- smp1_000201
- tocris-0289
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CAS Number(s) |
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InChIKey |
ZJQHPWUVQPJPQT-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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