5-(Aminomethyl)-4-(2-hydroxyethyl)isoxazol-3(2H)-one
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Basic information
- CAS
752173-14-1- Standard SMILES
NCc1o[nH]c(=O)c1CCO- InChIKey
HJAFHEHFUBCVMX-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
Names & identifiers
- Preferred name
- 5-(Aminomethyl)-4-(2-hydroxyethyl)isoxazol-3(2H)-one
- IUPAC
- 5-(aminomethyl)-4-(2-hydroxyethyl)-1,2-oxazol-3-one
- English name
- 4-Isoxazoleethanol, 5-(aminomethyl)-3-hydroxy- (9CI)
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
752173-14-15-(Aminomethyl)-4-(2-hydroxyethyl)isoxazol-3(2H)-oneSCHEMBL25042527DB-2726204-ISOXAZOLEETHANOL, 5-(AMINOMETHYL)-3-HYDROXY-4-Isoxazoleethanol, 5-(aminomethyl)-3-hydroxy- (9CI)3(2H)-Isoxazolone, 5-(aminomethyl)-4-(2-hydroxyethyl)-
Database identifiers
- CAS
752173-14-1
Properties
Computed structural propertiesFilling in
- XLogP
- -1.8
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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