| CAS Number | 155595-81-6 |
| Catalog Number | AG01AFJT(AGN-PC-0WOTRM) |
| Chemical Name | 1-Propyl-1,4-diazepan-2-one |
| IUPAC Name | 1-propyl-1,4-diazepan-2-one |
| InChI | InChI=1S/C8H16N2O/c1-2-5-10-6-3-4-9-7-8(10)11/h9H,2-7H2,1H3 |
| InChI Key | ONMRUIGEYUMICY-UHFFFAOYSA-N |
| MDL Number | MFCD21195066 |
| Molecular Formula | C8H16N2O |
| Molecular Weight | 156.2254 |
| SMILES | CCCN1C(=O)CNCCC1 |
| Synonyms | 1-propyl-1,4-diazepan-2-one,
155595-81-6,
STL453426,
ZINC83747599,
AKOS014697447,
MCULE-8150823911,
NE23129,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.229g/mol |
| Monoisotopic Mass | 156.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number