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51-19-4 molecular structure
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2-aminophenol hydrochloride

ChemBase ID: 294199
Molecular Formular: C6H8ClNO
Molecular Mass: 145.58682
Monoisotopic Mass: 145.02944156
SMILES and InChIs

SMILES:
Oc1ccccc1N.Cl
Canonical SMILES:
Nc1ccccc1O.Cl
InChI:
InChI=1S/C6H7NO.ClH/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H
InChIKey:
QUDZAFKCASPJLX-UHFFFAOYSA-N

Cite this record

CBID:294199 http://www.chembase.cn/molecule-294199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminophenol hydrochloride
IUPAC Traditional name
2-aminophenol hydrochloride
Synonyms
2-Aminophenol hydrochloride
CAS Number
51-19-4
MDL Number
MFCD00035471
PubChem SID
180679730
PubChem CID
5800

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD70925 Please log in.
Data Source Data ID
PubChem 5800 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.349432  H Acceptors
H Donor LogD (pH = 5.5) 0.7979417 
LogD (pH = 7.4) 0.83962935  Log P 0.84075457 
Molar Refractivity 32.7393 cm3 Polarizability 12.071578 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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