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948988-53-2 molecular structure
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4-methylpiperidine-4-carbonitrile

ChemBase ID: 309945
Molecular Formular: C7H12N2
Molecular Mass: 124.18358
Monoisotopic Mass: 124.10004839
SMILES and InChIs

SMILES:
N#CC1(CCNCC1)C
Canonical SMILES:
N#CC1(C)CCNCC1
InChI:
InChI=1S/C7H12N2/c1-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKey:
VIXYONLJAGTTOD-UHFFFAOYSA-N

Cite this record

CBID:309945 http://www.chembase.cn/molecule-309945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylpiperidine-4-carbonitrile
IUPAC Traditional name
4-methylpiperidine-4-carbonitrile
Synonyms
4-methyl-4-piperidinecarbonitrile
CAS Number
948988-53-2
MDL Number
MFCD13176183

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) -2.643697  LogD (pH = 7.4) -1.4002322 
Log P 0.49419534  Molar Refractivity 36.5556 cm3
Polarizability 14.26212 Å3 Polar Surface Area 35.82 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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