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MFCD01737375 molecular structure
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2-hydrazinyl-3-methylbutanoic acid

ChemBase ID: 50336
Molecular Formular: C5H12N2O2
Molecular Mass: 132.16098
Monoisotopic Mass: 132.08987763
SMILES and InChIs

SMILES:
C(C(=O)O)(NN)C(C)C
Canonical SMILES:
NNC(C(=O)O)C(C)C
InChI:
InChI=1S/C5H12N2O2/c1-3(2)4(7-6)5(8)9/h3-4,7H,6H2,1-2H3,(H,8,9)
InChIKey:
PMQMQIALVIXUTQ-UHFFFAOYSA-N

Cite this record

CBID:50336 http://www.chembase.cn/molecule-50336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-3-methylbutanoic acid
IUPAC Traditional name
2-hydrazinyl-3-methylbutanoic acid
Synonyms
2-Hydrazino-3-methylbutanoic acid
MDL Number
MFCD01737375
PubChem SID
162055099
PubChem CID
29841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
053835 external link Add to cart Please log in.
Data Source Data ID
PubChem 29841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.4473763  H Acceptors
H Donor LogD (pH = 5.5) -1.2061795 
LogD (pH = 7.4) -2.5798545  Log P -1.1523663 
Molar Refractivity 44.4698 cm3 Polarizability 13.343778 Å3
Polar Surface Area 75.35 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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