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150-75-4 molecular structure
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4-(methylamino)phenol; sulfuric acid

ChemBase ID: 233344
Molecular Formular: C7H11NO5S
Molecular Mass: 221.23094
Monoisotopic Mass: 221.03579346
SMILES and InChIs

SMILES:
S(=O)(=O)(O)O.c1(NC)ccc(cc1)O
Canonical SMILES:
OS(=O)(=O)O.CNc1ccc(cc1)O
InChI:
InChI=1S/C7H9NO.H2O4S/c1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKey:
OHYPPUOVSUINHM-UHFFFAOYSA-N

Cite this record

CBID:233344 http://www.chembase.cn/molecule-233344.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(methylamino)phenol; sulfuric acid
IUPAC Traditional name
p-methylaminophenol; sulfuric acid
Synonyms
sulfuric acid compound with 4-(methylamino)phenol (1:1)
CAS Number
150-75-4
MDL Number
MFCD00058280
PubChem SID
164289254
PubChem CID
74737

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08042 external link Add to cart Please log in.
Data Source Data ID
PubChem 74737 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.365575  H Acceptors
H Donor LogD (pH = 5.5) 0.47545755 
LogD (pH = 7.4) 1.1212661  Log P 1.1424587 
Molar Refractivity 38.2327 cm3 Polarizability 13.911617 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
260 - 262°C expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
Purity
95% expand Show data source
Salt Data
H2SO4 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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