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758665-04-2 molecular structure
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3-(dimethylamino)butanoic acid

ChemBase ID: 308125
Molecular Formular: C6H13NO2
Molecular Mass: 131.17292
Monoisotopic Mass: 131.09462866
SMILES and InChIs

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

Cite this record

CBID:308125 http://www.chembase.cn/molecule-308125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(dimethylamino)butanoic acid
IUPAC Traditional name
3-(dimethylamino)butanoic acid
Synonyms
3-(dimethylamino)butanoic acid
CAS Number
758665-04-2
MDL Number
MFCD09971267

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) -2.4182575  LogD (pH = 7.4) -2.4087539 
Log P -2.4079008  Molar Refractivity 35.1909 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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