Basic information
- CAS
7353-59-5- Standard SMILES
CN(C)CC1CCc2ccccc2C1=O- InChIKey
OMCOACHXKJOZMD-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101416
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-2-((dimethylamino)methyl)-
- IUPAC
- 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
- English name
- 2-[(Dimethylamino)methyl]tetralin-1-one
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
2-Dimethylaminomethyltetralone7353-59-5N-538BRN 21060071-Dimethylaminomethyl-tetralon-21-Dimethylaminomethyl-tetralon-2 [German]1-Dimethylaminomethyl-3,4-dihydro-1(2H)-naphthalenone1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-((DIMETHYLAMINO)METHYL)-3-14-00-00192 (Beilstein Handbook Reference)RefChem:211496MFCD017125572-((Dimethylamino)methyl)-3,4-dihydronaphthalen-1(2H)-one
Show more names
3,4-Dihydro-2-(dimethylaminomethyl)-1(2H)-naphthalenone2-(Dimethylaminomethyl)-3,4-dihydronaphthalene-1(2H)-one1(2H)-Naphthalenone, 2-[(dimethylamino)methyl]-3,4-dihydro-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-one
2-[(dimethylamino)methyl]-3,4-dihydro-1(2H)-naphthalenone2-[(dimethylamino)methyl]-3,4-dihydronaphthalen-1(2H)-one2-[(DIMETHYLAMINO)METHYL]-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONENSC656287CHEMBL32454552-[(Dimethylamino)methyl]tetralin-1-one2-(dimethylaminomethyl)tetralin-1-oneSCHEMBL2125675
Database identifiers
- CAS
7353-59-5- PubChem CID
- 23812
- DTXSID
DTXSID10994305- ChEMBL
CHEMBL3245455、CHEMBL3302886- Nikkaji
- J42.441B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 308 · 308.0±11.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.28(Predicted)
Chemistry & industry
Suppliers3 total
济宁一泽医药科技有限公司15192473210 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南诺博汀精细化工有限公司18798187137 · [email protected]
Related reactions
4 records
Compound notes
Loading…