| CAS Number | 253175-99-4 |
| Catalog Number | AG01A8TW(AGN-PC-0WO6XV) |
| Chemical Name | 2-Methylpropyl 1,4-diazepane-1-carboxylate |
| IUPAC Name | 2-methylpropyl 1,4-diazepane-1-carboxylate |
| InChI | InChI=1S/C10H20N2O2/c1-9(2)8-14-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3 |
| InChI Key | ZVOQTQAVQBWFSB-UHFFFAOYSA-N |
| MDL Number | MFCD11128918 |
| Molecular Formula | C10H20N2O2 |
| Molecular Weight | 200.2780 |
| SMILES | CC(COC(N1CCNCCC1)=O)C |
| Synonyms | 2-methylpropyl 1,4-diazepane-1-carboxylate,
253175-99-4,
AC1Q1PRO,
SCHEMBL1873610,
ZINC19815553,
AKOS000204178,
NE14947,
EN300-62543,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.282g/mol |
| Monoisotopic Mass | 200.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number