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915781-01-0 molecular structure
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1-(1-aminoethyl)naphthalen-2-ol hydrochloride

ChemBase ID: 806614
Molecular Formular: C12H14ClNO
Molecular Mass: 223.69866
Monoisotopic Mass: 223.07639175
SMILES and InChIs

SMILES:
Cl.c1cc2c(cc1)ccc(c2C(C)N)O
Canonical SMILES:
CC(c1c(O)ccc2c1cccc2)N.Cl
InChI:
InChI=1S/C12H13NO.ClH/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14;/h2-8,14H,13H2,1H3;1H
InChIKey:
PCHNWTHRLGSSBN-UHFFFAOYSA-N

Cite this record

CBID:806614 http://www.chembase.cn/molecule-806614.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-aminoethyl)naphthalen-2-ol hydrochloride
IUPAC Traditional name
1-(1-aminoethyl)naphthalen-2-ol hydrochloride
Synonyms
1-(1-AMINO-ETHYL)-NAPHTHALEN-2-OL HYDROCHLORIDE
CAS Number
915781-01-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24373 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24373 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.1054125  H Acceptors
H Donor LogD (pH = 5.5) -0.7104679 
LogD (pH = 7.4) 0.5186702  Log P 1.2276282 
Molar Refractivity 57.3813 cm3 Polarizability 23.740664 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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