| CAS Number | 115464-85-2 |
| Catalog Number | AG01BS44(AGN-PC-0NYQSE) |
| Chemical Name | 3,4-Dihydro-2H-1,5-benzodioxepin-6-amine hydrochloride |
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-6-amine;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c10-7-3-1-4-8-9(7)12-6-2-5-11-8;/h1,3-4H,2,5-6,10H2;1H |
| InChI Key | SXAMVGWLAZXOHO-UHFFFAOYSA-N |
| MDL Number | MFCD25955976 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.NC1=C2C(OCCCO2)=CC=C1 |
| Synonyms | 115464-85-2,
3,4-dihydro-2H-1,5-benzodioxepin-6-amine hydrochloride,
6-amino-3,4-dihydro-2H-1,5-benzodioxepine hydrochloride,
Z2753058364,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number