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624-82-8 molecular structure
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N'-hydroxymethanimidamide

ChemBase ID: 76221
Molecular Formular: CH4N2O
Molecular Mass: 60.05526
Monoisotopic Mass: 60.03236276
SMILES and InChIs

SMILES:
N/C=N/O
Canonical SMILES:
N/C=N/O
InChI:
InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)
InChIKey:
IONSZLINWCGRRI-UHFFFAOYSA-N

Cite this record

CBID:76221 http://www.chembase.cn/molecule-76221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-hydroxymethanimidamide
(E)-N'-hydroxymethenimidamide
IUPAC Traditional name
formamide oxime
N-hydroxymethanimidamide
Synonyms
Formamidoxime
Formamidoxime
N'-hydroxyimidoformamide
氨基甲肟
CAS Number
624-82-8
EC Number
210-865-8
MDL Number
MFCD00008125
PubChem SID
24848456
162041129
PubChem CID
9561073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9561073 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.33457  H Acceptors
H Donor LogD (pH = 5.5) -1.2216578 
LogD (pH = 7.4) -1.0157267  Log P -1.0123405 
Molar Refractivity 13.9192 cm3 Polarizability 5.209992 Å3
Polar Surface Area 58.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
112 - 115°C expand Show data source
112-115 °C(lit.) expand Show data source
112-115°C expand Show data source
Hydrophobicity(logP)
-1.287 expand Show data source
Storage Warning
Harmful expand Show data source
RTECS
LQ4632000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-40 expand Show data source
Safety Statements
22-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332-H351 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
99% expand Show data source
Linear Formula
HC(=NOH)NH2 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR12756 external link
DNA synthesis inhibitor
Sigma Aldrich - 140198 external link
Application
DNA synthesis inhibitor.
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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