| CAS Number | 1408076-34-5 |
| Catalog Number | AG001CUE(AGN-PC-0WCJ9X) |
| Chemical Name | 4-Methoxy-hexahydro-1h-azepine hydrochloride |
| IUPAC Name | 4-methoxyazepane;hydrochloride |
| InChI | InChI=1S/C7H15NO.ClH/c1-9-7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | QTGHAOUGNODJQR-UHFFFAOYSA-N |
| MDL Number | MFCD21641983 |
| Molecular Formula | C7H16ClNO |
| Molecular Weight | 165.6610 |
| SMILES | Cl.COC1CCNCCC1 |
| Synonyms | 4-methoxyazepane hydrochloride,
1408076-34-5,
4-Methoxy-hexahydro-1H-azepine HCl,
4-Methoxy-hexahydro-1H-azepine hydrochloride,
KS-000002VW,
AKOS025290774,
SB10095,
AS-33423,
CS-0050816,
Q-2255,
1H-Azepine, hexahydro-4-methoxy-, hydrochloride (1:1),
Z2492774475,
|
| Complexity | 75.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.661g/mol |
| Monoisotopic Mass | 165.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number