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1096770-57-8 molecular structure
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2-(dimethylamino)-2-(2-methylphenyl)acetic acid

ChemBase ID: 307269
Molecular Formular: C11H15NO2
Molecular Mass: 193.2423
Monoisotopic Mass: 193.11027873
SMILES and InChIs

SMILES:
C(c1c(C)cccc1)(C(=O)O)N(C)C
Canonical SMILES:
CN(C(c1ccccc1C)C(=O)O)C
InChI:
InChI=1S/C11H15NO2/c1-8-6-4-5-7-9(8)10(11(13)14)12(2)3/h4-7,10H,1-3H3,(H,13,14)
InChIKey:
OKWSBWZEAAPYOZ-UHFFFAOYSA-N

Cite this record

CBID:307269 http://www.chembase.cn/molecule-307269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)-2-(2-methylphenyl)acetic acid
IUPAC Traditional name
(dimethylamino)(2-methylphenyl)acetic acid
Synonyms
(dimethylamino)(2-methylphenyl)acetic acid
CAS Number
1096770-57-8
MDL Number
MFCD08059908

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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6107729  LogD (pH = 7.4) -0.6134579 
Log P -0.6108012  Molar Refractivity 55.4718 cm3
Polarizability 21.48848 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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