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130673-36-8 molecular structure
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3-(hydrazinecarbonyl)propanamide

ChemBase ID: 33135
Molecular Formular: C4H9N3O2
Molecular Mass: 131.13316
Monoisotopic Mass: 131.06947654
SMILES and InChIs

SMILES:
C(=O)(NN)CCC(=O)N
Canonical SMILES:
NNC(=O)CCC(=O)N
InChI:
InChI=1S/C4H9N3O2/c5-3(8)1-2-4(9)7-6/h1-2,6H2,(H2,5,8)(H,7,9)
InChIKey:
NIVIWZQORMNQQX-UHFFFAOYSA-N

Cite this record

CBID:33135 http://www.chembase.cn/molecule-33135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(hydrazinecarbonyl)propanamide
IUPAC Traditional name
3-(hydrazinecarbonyl)propanamide
Synonyms
4-Hydrazino-4-oxobutanamide
CAS Number
130673-36-8
MDL Number
MFCD00984930
PubChem SID
160996442
PubChem CID
1416956

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1416956 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.719813  H Acceptors
H Donor LogD (pH = 5.5) -2.3101232 
LogD (pH = 7.4) -2.308862  Log P -2.3088439 
Molar Refractivity 31.6655 cm3 Polarizability 12.050771 Å3
Polar Surface Area 98.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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