8-Acetyl-2-(dipropylamino)tetralin

HCID 132276

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

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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