| CAS Number | 54661-57-3 |
| Catalog Number | AG01AIJ1(AGN-PC-0SHRTJ) |
| Chemical Name | 3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride |
| IUPAC Name | 3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride |
| InChI | InChI=1S/C6H12N2.ClH/c7-6-4-2-1-3-5-8-6;/h1-5H2,(H2,7,8);1H |
| InChI Key | QYMDLBQFLKOPGW-UHFFFAOYSA-N |
| MDL Number | MFCD00466070 |
| Molecular Formula | C6H13ClN2 |
| Molecular Weight | 148.6338 |
| SMILES | NC1=NCCCCC1.Cl |
| Synonyms | 3,4,5,6-tetrahydro-2H-azepin-7-amine hydrochloride,
54661-57-3,
CHEMBL543752,
Azepan-(2Z)-ylideneamine HCl,
SCHEMBL8320846,
AKOS016032924,
MCULE-2757008672,
NE28742,
EN300-77981,
3,4,5,6-Tetrahydro-2H-azepin-7-amine monohydrochloride,
2,2-dibutyl-1,3-dioxolane,
|
| Complexity | 96.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.634g/mol |
| Monoisotopic Mass | 148.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number