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130-24-5 molecular structure
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4-amino-2-methylnaphthalen-1-ol hydrochloride

ChemBase ID: 102846
Molecular Formular: C11H12ClNO
Molecular Mass: 209.67208
Monoisotopic Mass: 209.06074169
SMILES and InChIs

SMILES:
Cl.Cc1cc(N)c2ccccc2c1O
Canonical SMILES:
Cc1cc(N)c2c(c1O)cccc2.Cl
InChI:
InChI=1S/C11H11NO.ClH/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;/h2-6,13H,12H2,1H3;1H
InChIKey:
LZRUOHAYVULQID-UHFFFAOYSA-N

Cite this record

CBID:102846 http://www.chembase.cn/molecule-102846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-methylnaphthalen-1-ol hydrochloride
IUPAC Traditional name
4-amino-2-methylnaphthalen-1-ol hydrochloride
Synonyms
2-Methyl-4-amino-1-naphthol
VITAMIN K5 HYDROCHLORIDE
CAS Number
130-24-5
EC Number
204-983-9
PubChem SID
162088771
PubChem CID
67225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02103284 external link Add to cart Please log in.
Data Source Data ID
PubChem 67225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.380315  H Acceptors
H Donor LogD (pH = 5.5) 2.1166267 
LogD (pH = 7.4) 2.3393252  Log P 2.3436527 
Molar Refractivity 54.2307 cm3 Polarizability 21.404064 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
> 275°C expand Show data source
Storage Condition
-20°C, Desiccate, Protect from light expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02103284 external link
Hydrochloride
Protect from light and air.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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