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107388-72-7 molecular structure
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2-(1-methylpiperidin-2-yl)acetic acid

ChemBase ID: 307392
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C(C1N(C)CCCC1)C(=O)O
Canonical SMILES:
OC(=O)CC1CCCCN1C
InChI:
InChI=1S/C8H15NO2/c1-9-5-3-2-4-7(9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey:
IGBQBRPEHILFLU-UHFFFAOYSA-N

Cite this record

CBID:307392 http://www.chembase.cn/molecule-307392.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methylpiperidin-2-yl)acetic acid
IUPAC Traditional name
(1-methylpiperidin-2-yl)acetic acid
Synonyms
(1-methylpiperidin-2-yl)acetic acid
CAS Number
107388-72-7
MDL Number
MFCD05860069

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) -1.9239112  LogD (pH = 7.4) -1.9157054 
Log P -1.915237  Molar Refractivity 42.5843 cm3
Polarizability 16.785397 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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