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6723-30-4 molecular structure
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O-(oxan-2-yl)hydroxylamine

ChemBase ID: 67497
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
NOC1CCCCO1
Canonical SMILES:
NOC1CCCCO1
InChI:
InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2
InChIKey:
NLXXVSKHVGDQAT-UHFFFAOYSA-N

Cite this record

CBID:67497 http://www.chembase.cn/molecule-67497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-(oxan-2-yl)hydroxylamine
IUPAC Traditional name
O-(oxan-2-yl)hydroxylamine
Synonyms
O-(Tetrahydropyran-2-yl)-hydroxylamine
O-(oxan-2-yl)hydroxylamine
O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine
O-(Tetrahydro-2H-pyran-2-yl)hydroxylaMine
O-(四氢-2H-吡喃-2-基)羟基胺
CAS Number
6723-30-4
MDL Number
MFCD01321374
PubChem SID
24871725
162033232
PubChem CID
5142091

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5154879  LogD (pH = 7.4) 0.53774035 
Log P 0.5380316  Molar Refractivity 30.3645 cm3
Polarizability 12.143482 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
34-37 °C(lit.) expand Show data source
36 - 38°C expand Show data source
Boiling Point
81 °C/20 mmHg(lit.) expand Show data source
Flash Point
179.6 °F expand Show data source
82 °C expand Show data source
Hydrophobicity(logP)
-0.244 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H11NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 480894 external link
Application
Used as an oximation reagent in the synthesis of a marine alkaloid which shows significant inhibitory activity against mycothiol S-conjugate amidase.1
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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