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206557-03-1 molecular structure
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O-(prop-2-en-1-yl)hydroxylamine hydrate hydrochloride

ChemBase ID: 146094
Molecular Formular: C3H10ClNO2
Molecular Mass: 127.57
Monoisotopic Mass: 127.04000625
SMILES and InChIs

SMILES:
C=CCON.O.Cl
Canonical SMILES:
NOCC=C.O.Cl
InChI:
InChI=1S/C3H7NO.ClH.H2O/c1-2-3-5-4;;/h2H,1,3-4H2;1H;1H2
InChIKey:
VYCHJEXJHFTAQI-UHFFFAOYSA-N

Cite this record

CBID:146094 http://www.chembase.cn/molecule-146094.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 hydrate hydrochloride
IUPAC Traditional name
O-(prop-2-en-1-yl)hydroxylamine hydrate hydrochloride
Synonyms
O-Allylhydroxylamine hydrochloride hydrate
O-烯丙基羟胺 盐酸盐 水合物
CAS Number
206557-03-1
EC Number
254-203-6
MDL Number
MFCD00150102
PubChem SID
162240293
24855393
PubChem CID
16211718

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
254568 external link Add to cart Please log in.
Data Source Data ID
PubChem 16211718 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
175 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3263 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
H2C=CHCH2ONH2·HCl·xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 254568 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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