Basic information
- CAS
6626-45-5- Standard SMILES
CCN(CC)CCCCCCN1CC2CCCCC2C1.Cl- InChIKey
SRGXBOVQRMEANX-UHFFFAOYSA-N- Molecular formula
- C18H37ClN2
- Average molar mass
- 317 g/mol
- Monoisotopic mass
- 316.2645269
Names & identifiers
- Preferred name
- N,N-Diethyl-6-(octahydro-2H-isoindol-2-yl)hexan-1-amine--hydrogen chloride (1/1)
- IUPAC
- 6-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-diethylhexan-1-amine;hydrochloride
Names & synonyms
6626-45-5N,N-Diethyl-6-(octahydro-2H-isoindol-2-yl)hexan-1-amine--hydrogen chloride (1/1)DTXSID60712814NSC58224NSC-58224
Database identifiers
- CAS
6626-45-5- PubChem CID
- 54599705
- DTXSID
DTXSID60712814
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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