RefChem:216280
N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine;hydrochloride
Also Known As: 1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride|5-(N-(2-Dimethylaminoethyl)hydroxylamino)-2,3-dihydro-1-benzothiepin hydrochloride|N-(2,3-Dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-1,2-ethanediamine HCl|n-(2,3-dihydro-1-benzothiepin-5-yl)-n-hydroxy-n',n'-dimethylethane-1,2-diamine hydrochloride(1:1)|N-(2,3-dihydro-1-benzothiepin-5-yl)-N-(2-dimethylaminoethyl)hydroxylamine hydrochloride|N~1~-(2,3-Dihydro-1-benzothiepin-5-yl)-N~1~-hydroxy-N~2~,N~2~-dimethylethane-1,2-diamine--hydrogen chloride (1/1)
| Molecular Formula | C14H21ClN2OS |
|---|---|
| Molecular Weight | 300.10632 g/mol |
| LogP | 3.1979 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.10632 |
| Monoisotopic Mass | 300.10632 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 4172-75-2 |
|---|---|
| SMILES | CN(C)CCN(C1=CCCSC2=CC=CC=C12)O.Cl |
| InChIKey | GNBDCZUNFIWLML-UHFFFAOYSA-N |
Product Overview
RefChem:216280 (CAS 4172-75-2), with molecular formula C14H21ClN2OS and molecular weight 300.10632 g/mol. IUPAC: N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine;hydrochloride.