Basic information
- CAS
63834-52-6- Standard SMILES
SCCNCCCCCCNCCS- InChIKey
OQKAJPIRPPBWBF-UHFFFAOYSA-N- Molecular formula
- C10H24N2S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.13809112
Names & identifiers
- Preferred name
- 1,6-Hexanediamine, N,N'-bis(beta-mercaptoethyl)-
- IUPAC
- 2-[6-(2-sulfanylethylamino)hexylamino]ethanethiol
- English name
- N,N'-Bis(2-mercaptoethyl)-1,6-hexanediamine
- Molecular formula
- C10H24N2S2
- Molecular weight
- 236.44
Names & synonyms
1,6-HEXANEDIAMINE, N,N'-BIS(beta-MERCAPTOETHYL)-63834-52-6N,N'-Bis(beta-mercaptoethyl)hexamethylene diamineDTXSID90213283RefChem:221583DTXCID901357742,2'-[Hexane-1,6-diylbis(azanediyl)]di(ethane-1-thiol)N,N'-Bis(2-mercaptoethyl)-1,6-hexanediamineEthanethiol, 2,2'-(1,6-hexanediyldiimino)bis- (9CI)
Database identifiers
- CAS
63834-52-6- PubChem CID
- 44819
- DTXSID
DTXSID90213283- Nikkaji
- J73.688K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 90.1
Physicochemical properties
- Boiling point
- 342.6 · 342.6±27.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 8.61 · 8.61±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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