Basic information
- CAS
63978-82-5- Standard SMILES
C#CC[NH+](CC)C1CCCc2c(OC)ccc(Cl)c21.[Cl-]- InChIKey
MXFYZUSZBMXXEB-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NO
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 313.1000197
Names & identifiers
- Preferred name
- 8-Chloro-N-ethyl-5-methoxy-N-(prop-2-yn-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)
- IUPAC
- (8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-ethyl-prop-2-ynylazanium chloride
Names & synonyms
63978-82-5DTXSID409815018-Chloro-N-ethyl-5-methoxy-N-(prop-2-yn-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)RefChem:1074686DTXCID5014087711-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N-ethyl-5-methoxy-N-(2-propynyl)-, hydrochloride
Database identifiers
- CAS
63978-82-5- PubChem CID
- 45855
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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