| CAS Number | 1170891-84-5 |
| Catalog Number | AG019LDT(AGN-PC-0WOSDX) |
| Chemical Name | methyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride |
| IUPAC Name | methyl 2-(1,4-diazepan-1-yl)acetate;dihydrochloride |
| InChI | InChI=1S/C8H16N2O2.2ClH/c1-12-8(11)7-10-5-2-3-9-4-6-10;;/h9H,2-7H2,1H3;2*1H |
| InChI Key | FBKZRHCBLTVLTM-UHFFFAOYSA-N |
| MDL Number | MFCD09863849 |
| Molecular Formula | C8H18Cl2N2O2 |
| Molecular Weight | 245.1467 |
| SMILES | Cl.Cl.COC(CN1CCNCCC1)=O |
| Synonyms | methyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride,
1170891-84-5,
AC1Q3AK6,
CTK6J2576,
AKOS008090351,
MCULE-2502781833,
NE46335,
EN300-30906,
METHYL 1,4-DIAZEPAN-1-YLACETATE DIHYDROCHLORIDE,
Z1262254303,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.144g/mol |
| Monoisotopic Mass | 244.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number