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90792-82-8 molecular structure
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1-(aminooxy)-2-methylpropan-2-ol hydrochloride

ChemBase ID: 798787
Molecular Formular: C4H12ClNO2
Molecular Mass: 141.59658
Monoisotopic Mass: 141.05565631
SMILES and InChIs

SMILES:
Cl.C(C(C)(O)C)ON
Canonical SMILES:
NOCC(O)(C)C.Cl
InChI:
InChI=1S/C4H11NO2.ClH/c1-4(2,6)3-7-5;/h6H,3,5H2,1-2H3;1H
InChIKey:
BAUFQQWPODDQLO-UHFFFAOYSA-N

Cite this record

CBID:798787 http://www.chembase.cn/molecule-798787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(aminooxy)-2-methylpropan-2-ol hydrochloride
IUPAC Traditional name
1-(aminooxy)-2-methylpropan-2-ol hydrochloride
Synonyms
1-(aminooxy)-2-methylpropan-2-ol hydrochloride
CAS Number
90792-82-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12266 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12266 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.544214  H Acceptors
H Donor LogD (pH = 5.5) -0.3713035 
LogD (pH = 7.4) -0.35568878  Log P -0.35548598 
Molar Refractivity 27.6803 cm3 Polarizability 10.957657 Å3
Polar Surface Area 55.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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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