| CAS Number | 1171427-48-7 |
| Catalog Number | AG019LI1(AGN-PC-0WOQZU) |
| Chemical Name | Ethyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride |
| IUPAC Name | ethyl 2-(1,4-diazepan-1-yl)acetate;dihydrochloride |
| InChI | InChI=1S/C9H18N2O2.2ClH/c1-2-13-9(12)8-11-6-3-4-10-5-7-11;;/h10H,2-8H2,1H3;2*1H |
| InChI Key | WCMOMHYTQOTCKC-UHFFFAOYSA-N |
| MDL Number | MFCD09971458 |
| Molecular Formula | C9H20Cl2N2O2 |
| Molecular Weight | 259.1733 |
| SMILES | Cl.Cl.CCOC(CN1CCNCCC1)=O |
| Synonyms | ethyl 1,4-diazepan-1-ylacetate dihydrochloride,
1171427-48-7,
ethyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride,
AC1Q3AAY,
CTK6F8890,
AKOS008090350,
MCULE-4526170590,
NE33373,
EN300-31327,
J-003515,
ethyl 1,4-diazepan-1-ylacetate dihydrochloride, AldrichCPR,
[1,4]Diazepan-1-yl-acetic acid ethyl ester x 2 HCl, 98% - 1G 1g,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.171g/mol |
| Monoisotopic Mass | 258.09g/mol |
| Rotatable Bond Count | 4 |
| 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