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89115-93-5 molecular structure
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methyl 2-methylpiperidine-2-carboxylate

ChemBase ID: 309796
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C(=O)(C1(NCCCC1)C)OC
Canonical SMILES:
COC(=O)C1(C)CCCCN1
InChI:
InChI=1S/C8H15NO2/c1-8(7(10)11-2)5-3-4-6-9-8/h9H,3-6H2,1-2H3
InChIKey:
ZAPUGMTZFAFQMT-UHFFFAOYSA-N

Cite this record

CBID:309796 http://www.chembase.cn/molecule-309796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-methylpiperidine-2-carboxylate
IUPAC Traditional name
methyl 2-methylpiperidine-2-carboxylate
Synonyms
methyl 2-methyl-2-piperidinecarboxylate
CAS Number
89115-93-5
MDL Number
MFCD13179033

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) -0.23677403  LogD (pH = 7.4) 0.857196 
Log P 0.9260872  Molar Refractivity 42.1477 cm3
Polarizability 17.03371 Å3 Polar Surface Area 38.33 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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