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Basic information
- CAS
5166-71-2- Standard SMILES
CN(C)CC1CCc2ccccc2C1=O.Cl- InChIKey
KZZFWTKJICTRGU-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.10769188
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)
- IUPAC
- 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
Names & synonyms
5166-71-2RefChem:10513891(2H)-Naphthalenone, 2-((dimethylamino)methyl)-3,4-dihydro-, hydrochloride (1:1)2-((Dimethylamino)methyl)-3,4-dihydro-1(2H)-naphthalenone hydrochlorideCHEMBL3245455NSC6562871(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-, hydrochlorideSCHEMBL2125507DTXSID90965952KZZFWTKJICTRGU-UHFFFAOYSA-NNSC-656287N,N-dimethylaminomethyl-1-tetralone hydrochloride
Show more names
2-[(Dimethylamino)methyl]-3,4-dihydro-1(2H)-naphthalenone, hydrochloride2-[(Dimethylamino)methyl]-3,4-dihydronaphthalen-1(2H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
5166-71-2- PubChem CID
- 199867
- DTXSID
DTXSID90965952- ChEMBL
CHEMBL3245455
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
4 records
Compound notes
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