| CAS Number | 53678-66-3 |
| Catalog Number | AG019SJ5(AGN-PC-0NJWN5) |
| Chemical Name | 1-(Prop-2-yn-1-yl)azepane |
| IUPAC Name | 1-prop-2-ynylazepane |
| InChI | InChI=1S/C9H15N/c1-2-7-10-8-5-3-4-6-9-10/h1H,3-9H2 |
| InChI Key | ZGDDMEFVIIIJBM-UHFFFAOYSA-N |
| MDL Number | MFCD14631424 |
| Molecular Formula | C9H15N |
| Molecular Weight | 137.2221 |
| SMILES | C#CCN1CCCCCC1 |
| Synonyms | 1-(prop-2-yn-1-yl)azepane,
53678-66-3,
1-prop-2-ynylazepane,
N-propargylperhydroazepine,
SCHEMBL229010,
ZGDDMEFVIIIJBM-UHFFFAOYSA-N,
ZINC95939081,
AKOS009027775,
MCULE-7441827317,
NE38922,
EN300-93868,
Z103702314,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.226g/mol |
| Monoisotopic Mass | 137.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number