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162104781 molecular structure
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3-(3-methoxyphenyl)oxetan-3-amine hydrochloride

ChemBase ID: 90635
Molecular Formular: C10H14ClNO2
Molecular Mass: 215.67666
Monoisotopic Mass: 215.07130637
SMILES and InChIs

SMILES:
O1CC(C1)(c1cc(ccc1)OC)N.Cl
Canonical SMILES:
COc1cccc(c1)C1(N)COC1.Cl
InChI:
InChI=1S/C10H13NO2.ClH/c1-12-9-4-2-3-8(5-9)10(11)6-13-7-10;/h2-5H,6-7,11H2,1H3;1H
InChIKey:
AETKUXBLSHMSLN-UHFFFAOYSA-N

Cite this record

CBID:90635 http://www.chembase.cn/molecule-90635.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-methoxyphenyl)oxetan-3-amine hydrochloride
IUPAC Traditional name
3-(3-methoxyphenyl)oxetan-3-amine hydrochloride
Synonyms
3-(3-Methoxyphenyl)oxetan-3-amine hydrochloride
3-(3-Aminooxetan-3-yl)anisole hydrochloride
3-Amino-3-(3-methoxyphenyl)oxetane hydrochloride
PubChem SID
162104781
PubChem CID
53256996

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61149 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256996 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8640805  LogD (pH = 7.4) -0.200598 
Log P 0.70637834  Molar Refractivity 49.6289 cm3
Polarizability 19.852734 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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