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162104804 molecular structure
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3-(2-chlorophenyl)oxetan-3-amine hydrochloride

ChemBase ID: 90630
Molecular Formular: C9H11Cl2NO
Molecular Mass: 220.09574
Monoisotopic Mass: 219.02176934
SMILES and InChIs

SMILES:
O1CC(c2c(cccc2)Cl)(C1)N.Cl
Canonical SMILES:
Clc1ccccc1C1(N)COC1.Cl
InChI:
InChI=1S/C9H10ClNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
InChIKey:
OGMFLQRDZVDHMT-UHFFFAOYSA-N

Cite this record

CBID:90630 http://www.chembase.cn/molecule-90630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-chlorophenyl)oxetan-3-amine hydrochloride
IUPAC Traditional name
3-(2-chlorophenyl)oxetan-3-amine hydrochloride
Synonyms
3-(2-Chlorophenyl)oxetan-3-amine hydrochloride
2-(3-Aminooxetan-3-yl)chlorobenzene hydrochloride
3-Amino-3-(2-chlorophenyl)oxetane hydrochloride
PubChem SID
162104804
PubChem CID
53256988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61144 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9664807  LogD (pH = 7.4) 0.724746 
Log P 1.4680942  Molar Refractivity 47.9705 cm3
Polarizability 19.20709 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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