1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate
Basic information
- CAS
117125-52-7- Standard SMILES
CN(C)CCNC1c2ccccc2CSc2ccccc21.Cl.Cl- InChIKey
ZPCMBEHODMDWHP-UHFFFAOYSA-N- Molecular formula
- C18H24Cl2N2S
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 370.1037253
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate
- IUPAC
- N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
Names & synonyms
N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-N',N'-dimethylethylenediamine 2HCl hemihydrate117125-52-71,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrateRefChem:216216DTXSID50922304N~2~-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-N~1~,N~1~-dimethylethane-1,2-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
117125-52-7- PubChem CID
- 3088239
- DTXSID
DTXSID50922304
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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