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4746-60-5 molecular structure
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2-hydroxyethanimidamide

ChemBase ID: 264145
Molecular Formular: C2H6N2O
Molecular Mass: 74.08184
Monoisotopic Mass: 74.04801282
SMILES and InChIs

SMILES:
C(=N)(N)CO
Canonical SMILES:
NC(=N)CO
InChI:
InChI=1S/C2H6N2O/c3-2(4)1-5/h5H,1H2,(H3,3,4)
InChIKey:
YSRCXLROFNRHLU-UHFFFAOYSA-N

Cite this record

CBID:264145 http://www.chembase.cn/molecule-264145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxyethanimidamide
IUPAC Traditional name
2-hydroxyethanimidamide
Synonyms
2-hydroxyethanimidamide
2-hydroxyacetimidamide
CAS Number
4746-60-5
MDL Number
MFCD05663289
PubChem SID
164320055
PubChem CID
412910

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 412910 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.340402  H Acceptors
H Donor LogD (pH = 5.5) -4.1888356 
LogD (pH = 7.4) -3.9393985  Log P -1.7777082 
Molar Refractivity 28.7622 cm3 Polarizability 6.9522243 Å3
Polar Surface Area 70.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.64 expand Show data source
Purity
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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