| CAS Number | 1432677-72-9 |
| Catalog Number | AG01A4PM |
| Chemical Name | 4-(3-aminopropyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride |
| IUPAC Name | 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C7H16N2O2S.ClH/c8-2-1-3-9-4-6-12(10,11)7-5-9;/h1-8H2;1H |
| InChI Key | KHPVSAOPCZVPDS-UHFFFAOYSA-N |
| MDL Number | MFCD23701956 |
| Molecular Formula | C7H17ClN2O2S |
| Molecular Weight | 228.7401 |
| SMILES | Cl.NCCCN1CCS(=O)(=O)CC1 |
| Synonyms | 1432677-72-9,
4-(3-aminopropyl)-1lambda6-thiomorpholine-1,1-dione hydrochloride,
MCULE-4921029270,
NE48033,
Z1623872314,
4-(3-aminopropyl)-1??,4-thiomorpholine-1,1-dione hydrochloride,
4-(3-aminopropyl)-1lambda-thiomorpholine-1,1-dione hydrochloride,
4-(3-aminopropyl)-1$l^{6},4-thiomorpholine-1,1-dione hydrochloride,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.735g/mol |
| Monoisotopic Mass | 228.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number