Basic information
- CAS
37014-69-0- Standard SMILES
CN(C)CCN(O)C1=CCCSc2ccccc21.Cl- InChIKey
GNBDCZUNFIWLML-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2OS
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1063122
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride
- IUPAC
- N-(2,3-dihydro-1-benzothiepin-5-yl)-N-[2-(dimethylamino)ethyl]hydroxylamine;hydrochloride
Names & synonyms
1,2-Ethanediamine, N-(2,3-dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-, monohydrochloride5-(N-(2-Dimethylaminoethyl)hydroxylamino)-2,3-dihydro-1-benzothiepin hydrochloride37014-69-0DTXSID40190510N-(2,3-Dihydro-1-benzothiepin-5-yl)-N',N'-dimethyl-N-hydroxy-1,2-ethanediamine HClRefChem:216280DTXCID80113001N~1~-(2,3-Dihydro-1-benzothiepin-5-yl)-N~1~-hydroxy-N~2~,N~2~-dimethylethane-1,2-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
37014-69-0- PubChem CID
- 216031
- DTXSID
DTXSID40190510
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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