| CAS Number | 1427379-52-9 |
| Catalog Number | AG01A407(AGN-PC-0WOV0U) |
| Chemical Name | 2-(Aminomethyl)-1,4lambda6-oxathiane-4,4-dione hydrochloride |
| IUPAC Name | (4,4-dioxo-1,4-oxathian-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C5H11NO3S.ClH/c6-3-5-4-10(7,8)2-1-9-5;/h5H,1-4,6H2;1H |
| InChI Key | YFJBLFHXUUWSNV-UHFFFAOYSA-N |
| MDL Number | MFCD23144178 |
| Molecular Formula | C5H12ClNO3S |
| Molecular Weight | 201.6717 |
| SMILES | Cl.NCC1OCCS(=O)(=O)C1 |
| Synonyms | 1427379-52-9,
2-(aminomethyl)-1,4lambda6-oxathiane-4,4-dione hydrochloride,
AKOS026744184,
NE49234,
2-(aminomethyl)-1,4??-oxathiane-4,4-dione hydrochloride,
2-(aminomethyl)-1,4$l^{6}-oxathiane-4,4-dione hydrochloride,
2-(aminomethyl)-1,4lambda-oxathiane-4,4-dione hydrochloride,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.665g/mol |
| Monoisotopic Mass | 201.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number