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539-64-0 molecular structure
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2-(dimethylamino)acetohydrazide hydrochloride

ChemBase ID: 797913
Molecular Formular: C4H12ClN3O
Molecular Mass: 153.61058
Monoisotopic Mass: 153.0668897
SMILES and InChIs

SMILES:
Cl.C(=O)(NN)CN(C)C
Canonical SMILES:
NNC(=O)CN(C)C.Cl
InChI:
InChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H
InChIKey:
OBXBQDQBTXIDCA-UHFFFAOYSA-N

Cite this record

CBID:797913 http://www.chembase.cn/molecule-797913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)acetohydrazide hydrochloride
IUPAC Traditional name
2-(dimethylamino)acetohydrazide hydrochloride
Synonyms
2-(dimethylamino)acetohydrazide hydrochloride
CAS Number
539-64-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.113587  H Acceptors
H Donor LogD (pH = 5.5) -3.3483858 
LogD (pH = 7.4) -1.7458781  Log P -1.4352655 
Molar Refractivity 32.379 cm3 Polarizability 12.276264 Å3
Polar Surface Area 58.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% 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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