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7437-54-9 molecular structure
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4-[1-hydroxy-2-(methylamino)propyl]phenol hydrochloride

ChemBase ID: 112615
Molecular Formular: C10H16ClNO2
Molecular Mass: 217.69254
Monoisotopic Mass: 217.08695644
SMILES and InChIs

SMILES:
Cl.CNC(C)C(O)c1ccc(O)cc1
Canonical SMILES:
CNC(C(c1ccc(cc1)O)O)C.Cl
InChI:
InChI=1S/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H
InChIKey:
ICBZSKCTKKUQSY-UHFFFAOYSA-N

Cite this record

CBID:112615 http://www.chembase.cn/molecule-112615.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1-hydroxy-2-(methylamino)propyl]phenol hydrochloride
IUPAC Traditional name
oxilofrine hydrochloride
Synonyms
p-HYDROXYEPHEDRINE HYDROCHLORIDE
CAS Number
7437-54-9
EC Number
231-092-2
PubChem SID
162097468
PubChem CID
3084014

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05224944 external link Add to cart Please log in.
Data Source Data ID
PubChem 3084014 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.19267  H Acceptors
H Donor LogD (pH = 5.5) -2.1565952 
LogD (pH = 7.4) -1.0539908  Log P 0.2835567 
Molar Refractivity 51.6682 cm3 Polarizability 20.436266 Å3
Polar Surface Area 52.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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