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1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-N-(2-propynyl)-, hydrochloride

HCID 46446
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Basic information

CAS
64037-79-2
Standard SMILES
C#CC[NH+](C)C1CCCc2c(OC)ccc(Cl)c21.[Cl-]
InChIKey
XZJXITQTLJLCIZ-UHFFFAOYSA-N
Molecular formula
C15H19Cl2NO
Average molar mass
300.2 g/mol
Monoisotopic mass
299.0843696

Names & identifiers

Preferred name
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-N-(2-propynyl)-, hydrochloride
IUPAC
(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-methyl-prop-2-ynylazanium chloride

Names & synonyms

64037-79-21-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-N-(2-propynyl)-, hydrochlorideRefChem:1056069

Database identifiers

CAS
64037-79-2
PubChem CID
46446

Properties

Computed structural properties

Topological polar surface area
13.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
324

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Compound notes

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