| CAS Number | 1057064-36-4 |
| Catalog Number | AG00HAP0(AGN-PC-0WBQ9V) |
| Chemical Name | 3-Isobutylisoxazol-5-amine |
| IUPAC Name | 3-(2-methylpropyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C7H12N2O/c1-5(2)3-6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3 |
| InChI Key | DZDIGBUGYPBFNY-UHFFFAOYSA-N |
| MDL Number | MFCD10692336 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | C(C(C)C)C1=NOC(=C1)N |
| Synonyms | 3-(2-methylpropyl)-1,2-oxazol-5-amine,
3-isobutylisoxazol-5-amine,
1057064-36-4,
AC1Q1P9U,
3-Isobutylisoxazole-5-amine,
SCHEMBL2795373,
CTK6A7215,
BBL031750,
MFCD10692336,
STL146838,
ZINC34939708,
AKOS005135917,
MCULE-2053535296,
AM806439,
EN300-54395,
L-2358,
AB01000858-01,
F2185-0011,
Z818727094,
3-isobutyl-isoxazol-5-ylamine,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number