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21635-88-1 molecular structure
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oxetan-3-amine

ChemBase ID: 52875
Molecular Formular: C3H7NO
Molecular Mass: 73.09378
Monoisotopic Mass: 73.05276385
SMILES and InChIs

SMILES:
NC1COC1
Canonical SMILES:
NC1COC1
InChI:
InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
InChIKey:
OJEOJUQOECNDND-UHFFFAOYSA-N

Cite this record

CBID:52875 http://www.chembase.cn/molecule-52875.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxetan-3-amine
IUPAC Traditional name
oxetan-3-amine
Synonyms
Oxetan-3-ylamine
3-Oxetanamine
3-Aminooxetane
oxetan-3-amine
CAS Number
21635-88-1
MDL Number
MFCD08544363
PubChem SID
162057638
PubChem CID
9833923

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.6047873  LogD (pH = 7.4) -2.1276362 
Log P -0.78419226  Molar Refractivity 18.6635 cm3
Polarizability 7.7528024 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
99°C expand Show data source
Flash Point
24°C(75°F) expand Show data source
Density
1.05 expand Show data source
Hydrophobicity(logP)
-0.637 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
23-26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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