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38945-21-0 molecular structure
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O-(prop-2-en-1-yl)hydroxylamine hydrochloride

ChemBase ID: 158377
Molecular Formular: C3H8ClNO
Molecular Mass: 109.55472
Monoisotopic Mass: 109.02944156
SMILES and InChIs

SMILES:
C=CCON.Cl
Canonical SMILES:
NOCC=C.Cl
InChI:
InChI=1S/C3H7NO.ClH/c1-2-3-5-4;/h2H,1,3-4H2;1H
InChIKey:
XIQUJVRFXPBMHS-UHFFFAOYSA-N

Cite this record

CBID:158377 http://www.chembase.cn/molecule-158377.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-(prop-2-en-1-yl)hydroxylamine hydrochloride
IUPAC Traditional name
O-(prop-2-en-1-yl)hydroxylamine hydrochloride
Synonyms
O-(2-Propenyl)hydroxylamine hydrochloride
O-Allylhydroxylamine hydrochloride
O-(2-丙烯基)羟胺 盐酸盐
O-烯丙基羟胺 盐酸盐
CAS Number
38945-21-0
EC Number
254-203-6
MDL Number
MFCD00012957
Beilstein Number
3552394
PubChem SID
162252513
24845891
PubChem CID
3084724

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
05983 external link Add to cart Please log in.
Data Source Data ID
PubChem 3084724 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33359385  LogD (pH = 7.4) 0.3682539 
Log P 0.36871415  Molar Refractivity 21.4937 cm3
Polarizability 8.231933 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)
Melting Point
~170 °C (dec.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
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
≥98.0% (AT) expand Show data source
Linear Formula
CH2=CHCH2ONH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 05983 external link
Other Notes
Useful intermediate; e.g. cyclization of O-allyloximes to give pyridines1,2,3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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