| CAS Number | 1332530-19-4 |
| Catalog Number | AG00J3BV |
| Chemical Name | [2-(1,3-benzoxazol-2-yl)ethyl]amine hydrochloride |
| IUPAC Name | 2-(1,3-benzoxazol-2-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-6-5-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6,10H2;1H |
| InChI Key | HZSPIKXOEOIYLU-UHFFFAOYSA-N |
| MDL Number | MFCD13186260 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | N1C2=CC=CC=C2OC=1CCN.Cl |
| Synonyms | [2-(1,3-Benzoxazol-2-yl)ethyl]amine hydrochloride,
2-(Benzo[d]oxazol-2-yl)ethanamine hydrochloride,
1332530-19-4,
2-(1,3-benzoxazol-2-yl)ethanamine hydrochloride,
ZX-CM014315,
MFCD13186260,
[2-(1,3-Benzoxazol-2-yl)ethyl]amine hydrochloride, AldrichCPR,
623553-29-7,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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