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83763-47-7 molecular structure
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2-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol

ChemBase ID: 294162
Molecular Formular: C9H14N2O2
Molecular Mass: 182.21966
Monoisotopic Mass: 182.1055277
SMILES and InChIs

SMILES:
COc1ccc(NCCO)cc1N
Canonical SMILES:
OCCNc1ccc(c(c1)N)OC
InChI:
InChI=1S/C9H14N2O2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKey:
SBUMIGFDXJIPLE-UHFFFAOYSA-N

Cite this record

CBID:294162 http://www.chembase.cn/molecule-294162.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-amino-4-methoxyphenyl)amino]ethan-1-ol
IUPAC Traditional name
2-[(3-amino-4-methoxyphenyl)amino]ethanol
Synonyms
2-((3-Amino-4-methoxyphenyl)amino)ethanol
CAS Number
83763-47-7
MDL Number
MFCD10566418
PubChem SID
180679693
PubChem CID
3019283

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD68817 Please log in.
Data Source Data ID
PubChem 3019283 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.588411  H Acceptors
H Donor LogD (pH = 5.5) -0.55643576 
LogD (pH = 7.4) -0.23669563  Log P -0.2306753 
Molar Refractivity 53.7077 cm3 Polarizability 19.435335 Å3
Polar Surface Area 67.51 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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