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MFCD17167229 molecular structure
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[2-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol hydrochloride

ChemBase ID: 270183
Molecular Formular: C12H18ClNO
Molecular Mass: 227.73042
Monoisotopic Mass: 227.10769188
SMILES and InChIs

SMILES:
c12CC(NC)(CCc1cccc2)CO.Cl
Canonical SMILES:
CNC1(CO)CCc2c(C1)cccc2.Cl
InChI:
InChI=1S/C12H17NO.ClH/c1-13-12(9-14)7-6-10-4-2-3-5-11(10)8-12;/h2-5,13-14H,6-9H2,1H3;1H
InChIKey:
GMTKMAFPVFTYHW-UHFFFAOYSA-N

Cite this record

CBID:270183 http://www.chembase.cn/molecule-270183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol hydrochloride
IUPAC Traditional name
[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol hydrochloride
Synonyms
[2-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methanol hydrochloride
MDL Number
MFCD17167229
PubChem SID
164326093
PubChem CID
50988517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68933 external link Add to cart Please log in.
Data Source Data ID
PubChem 50988517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.766707  H Acceptors
H Donor LogD (pH = 5.5) -1.6059926 
LogD (pH = 7.4) -0.7295156  Log P 1.5981468 
Molar Refractivity 57.8237 cm3 Polarizability 22.65127 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.54 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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