| CAS Number | 1322200-80-5 |
| Catalog Number | AG00HSMD(AGN-PC-0WA7MB) |
| Chemical Name | 3-(M-Tolyl)oxetan-3-amine hydrochloride |
| IUPAC Name | 3-(3-methylphenyl)oxetan-3-amine;hydrochloride |
| InChI | InChI=1S/C10H13NO.ClH/c1-8-3-2-4-9(5-8)10(11)6-12-7-10;/h2-5H,6-7,11H2,1H3;1H |
| InChI Key | YJTDKUBEWHYNKP-UHFFFAOYSA-N |
| MDL Number | MFCD19381736 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | Cl[H].C1(COC1)(N)C1C=C(C)C=CC=1 |
| Synonyms | 1322200-80-5,
3-(M-TOLYL)OXETAN-3-AMINE HYDROCHLORIDE,
3-m-Tolyloxetan-3-amine hydrochloride,
3-(M-TOLYL)OXETAN-3-AMINE HCL,
DTXSID60693230,
ZX-AT013594,
MFCD19381736,
AKOS025311406,
OR40706,
AS-37524,
3-(3-Aminooxetan-3-yl)toluene hydrochloride,
3-(3-Methylphenyl)oxetan-3-amine hydrochloride,
3-Amino-3-(3-methylphenyl)oxetane hydrochloride,
3-(3-Methylphenyl)oxetan-3-amine--hydrogen chloride (1/1),
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number