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74938-11-7 molecular structure
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7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

ChemBase ID: 125536
Molecular Formular: C16H25NO
Molecular Mass: 247.3758
Monoisotopic Mass: 247.19361443
SMILES and InChIs

SMILES:
CCCN(CCC)C1CCc2ccc(O)cc2C1
Canonical SMILES:
CCCN(C1CCc2c(C1)cc(cc2)O)CCC
InChI:
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
InChIKey:
BLYMJBIZMIGWFK-UHFFFAOYSA-N

Cite this record

CBID:125536 http://www.chembase.cn/molecule-125536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC Systematic name
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC Traditional name
7-OH-dpat
Synonyms
7-OH-DPAT
CAS Number
74938-11-7
PubChem SID
162219886
PubChem CID
1219
CHEMBL
285755
Chemspider ID
1182
MeSH Name
7-Hydroxy-2-N,N-dipropylaminotetralin
Wikipedia Title
7-OH-DPAT

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.027427  H Acceptors
H Donor LogD (pH = 5.5) 0.71101534 
LogD (pH = 7.4) 1.1492963  Log P 3.2832425 
Molar Refractivity 77.4626 cm3 Polarizability 30.018217 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Partition Coefficient
3.653 expand Show data source
pKa
10.389 expand Show data source
pKb
3.608 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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