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2523-01-5 molecular structure
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3-(dimethylamino)-2-methylpropanoic acid

ChemBase ID: 308226
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

SMILES:
C(C(=O)O)(CN(C)C)C
Canonical SMILES:
CC(C(=O)O)CN(C)C
InChI:
InChI=1S/C6H13NO2/c1-5(6(8)9)4-7(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKey:
JZRKIWQSOIPFET-UHFFFAOYSA-N

Cite this record

CBID:308226 http://www.chembase.cn/molecule-308226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(dimethylamino)-2-methylpropanoic acid
IUPAC Traditional name
3-(dimethylamino)-2-methylpropanoic acid
Synonyms
3-(dimethylamino)-2-methylpropanoic acid
CAS Number
2523-01-5
MDL Number
MFCD09864581

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.291066  LogD (pH = 7.4) -2.2825193 
Log P -2.2815855  Molar Refractivity 35.3466 cm3
Polarizability 13.835553 Å3 Polar Surface Area 40.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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