| CAS Number | 1262770-98-8 |
| Catalog Number | AG00J164 |
| Chemical Name | (2,1,3-Benzoxadiazol-5-ylmethyl)methylamine hydrochloride |
| IUPAC Name | 1-(2,1,3-benzoxadiazol-5-yl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C8H9N3O.ClH/c1-9-5-6-2-3-7-8(4-6)11-12-10-7;/h2-4,9H,5H2,1H3;1H |
| InChI Key | FTXGSOUKWXDORW-UHFFFAOYSA-N |
| MDL Number | MFCD13193874 |
| Molecular Formula | C8H10ClN3O |
| Molecular Weight | 199.6375 |
| SMILES | C12C=C(CNC)C=CC1=NON=2.Cl |
| Synonyms | (2,1,3-Benzoxadiazol-5-ylmethyl)methylamine hydrochloride,
1262770-98-8,
ZX-CM003098,
MFCD13193874,
(2,1,3-Benzoxadiazol-5-ylmethyl)methylamine hydrochloride, AldrichCPR,
915921-29-8,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.638g/mol |
| Monoisotopic Mass | 199.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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