Basic information
- CAS
140221-50-7- Standard SMILES
CCCN(CCC)C1CCc2cccc(C(C)=O)c2C1- InChIKey
SDJCCUJEEKDIBV-UHFFFAOYSA-N- Molecular formula
- C18H27NO
- Average molar mass
- 273.4 g/mol
- Monoisotopic mass
- 273.20926448
Overview
structure given in first source; a 5-HT(1A) receptor agonist; both isomers are active, but the (S)-isomer is the most potent
Names & identifiers
- Preferred name
- 8-Acetyl-2-(dipropylamino)tetralin
- IUPAC
- 1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
- English name
- 8-acetyl-2-(dipropylamino)tetralin
- Molecular formula
- C18H27NO
- Molecular weight
- 273.41
Names & synonyms
140221-50-78-Acetyl-2-(dipropylamino)tetralinLY-41Ethanone, 1-(7-(dipropylamino)-5,6,7,8-tetrahydro-1-naphthalenyl)-Ethanone, 1-[7-(dipropylamino)-5,6,7,8-tetrahydro-1-naphthalenyl]-RefChem:106878CHEMBL2862501-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone1-(7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone1-[7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethan-1-oneLY 411-(7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-yl)-ethanone
Show more names
1-(7-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)ETHANONE(WXG03449)
orb1738723SCHEMBL7763436DTXSID10930743SDJCCUJEEKDIBV-UHFFFAOYSA-NBDBM50030012L0044322-di-n-propylamino-8-acetyl-1,2,3,4-tetrahydronaphthalene2-(di-n-propylamino)-8-acetyl-1,2,3,4-tetrahydronaphthalene
Database identifiers
- CAS
140221-50-7- PubChem CID
- 132276
- DTXSID
DTXSID10930743- ChEMBL
CHEMBL286250
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 407.1 · 407.1±45.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 9.25 · 9.25±0.20(Predicted)
Chemistry & industry
Suppliers4 total
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
Related reactions
7 records
Compound notes
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