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372144-00-8 molecular structure
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2-amino-2-(3,5-dichlorophenyl)ethan-1-ol

ChemBase ID: 813195
Molecular Formular: C8H9Cl2NO
Molecular Mass: 206.06916
Monoisotopic Mass: 205.00611927
SMILES and InChIs

SMILES:
NC(CO)c1cc(cc(c1)Cl)Cl
Canonical SMILES:
OCC(c1cc(Cl)cc(c1)Cl)N
InChI:
InChI=1S/C8H9Cl2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKey:
LRORZXIRKBZZAG-UHFFFAOYSA-N

Cite this record

CBID:813195 http://www.chembase.cn/molecule-813195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(3,5-dichlorophenyl)ethan-1-ol
IUPAC Traditional name
2-amino-2-(3,5-dichlorophenyl)ethanol
Synonyms
1-(3,5-DICHLOROPHENYL)-2-HYDROXYETHYLAMINE
CAS Number
372144-00-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34239 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34239 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 19.925936 Å3 Polar Surface Area 46.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.993552  H Acceptors
H Donor LogD (pH = 5.5) -1.2076824 
LogD (pH = 7.4) 0.15539935  Log P 1.6767687 
Molar Refractivity 50.1035 cm3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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