| CAS Number | 55573-43-8 |
| Catalog Number | AG00J2G6(AGN-PC-0WB5XE) |
| Chemical Name | 4-ethylazepane |
| IUPAC Name | 4-ethylazepane |
| InChI | InChI=1S/C8H17N/c1-2-8-4-3-6-9-7-5-8/h8-9H,2-7H2,1H3 |
| InChI Key | TVTNCZUWGNRIOC-UHFFFAOYSA-N |
| MDL Number | MFCD12174730 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | N1CCCC(CC)CC1 |
| Synonyms | 4-ethylazepane,
55573-43-8,
4-Ethylazepane, AldrichCPR,
1H-azepine, 4-ethylhexahydro-,
SCHEMBL10279384,
ALBB-016472,
MFCD12174730,
AKOS009493112,
MCULE-1208066309,
EN300-80164,
Y-7075,
F8887-5464,
Z1723549380,
|
| Complexity | 71 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number