| CAS Number | 1216798-66-1 |
| Catalog Number | AG009VHW |
| Chemical Name | 3-Isopropylisoxazol-5-ylmethylamine hydrochloride |
| IUPAC Name | (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C7H12N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h3,5H,4,8H2,1-2H3;1H |
| InChI Key | PRYWZYULEFRWJU-UHFFFAOYSA-N |
| MDL Number | MFCD06739044 |
| Molecular Formula | C7H13ClN2O |
| Molecular Weight | 176.6439 |
| SMILES | N1OC(=CC=1C(C)C)CN.Cl |
| Synonyms | 1216798-66-1,
3-ISOPROPYL-ISOXAZOL-5-YLMETHYLAMINE HCL,
C-(3-ISOPROPYL-ISOXAZOL-5-YL)-METHYLAMINE HYDROCHLORIDE,
(3-ISOPROPYLISOXAZOL-5-YL)METHANAMINE HYDROCHLORIDE,
[3-(propan-2-yl)-1,2-oxazol-5-yl]methanamine hydrochloride,
(1Z)-N-hydroxypropanimidamide,
SCHEMBL19555684,
2310AJ,
MFCD06739044,
AB28464,
Z-5323,
1-(3-Isopropylisoxazol-5-yl)methanamine hydrochloride,
[(3-ISOPROPYL-5-ISOXAZOLYL)METHYL]AMINE HYDROCHLORIDE,
1-(3-Isopropylisoxazol-5-yl)methanamine hydrochloride, AldrichCPR,
C7H12N2O.HCl,
3-ISOPROPYL-ISOXAZOL-5-YLMETHYLAMINEHCL,
543713-30-0,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.644g/mol |
| Monoisotopic Mass | 176.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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