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1119449-94-3 molecular structure
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2-(1-methanesulfonylpiperidin-3-yl)ethan-1-amine

ChemBase ID: 306419
Molecular Formular: C8H18N2O2S
Molecular Mass: 206.30572
Monoisotopic Mass: 206.10889883
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CC(CCC1)CCN)C
Canonical SMILES:
NCCC1CCCN(C1)S(=O)(=O)C
InChI:
InChI=1S/C8H18N2O2S/c1-13(11,12)10-6-2-3-8(7-10)4-5-9/h8H,2-7,9H2,1H3
InChIKey:
USNNRJSCKORARL-UHFFFAOYSA-N

Cite this record

CBID:306419 http://www.chembase.cn/molecule-306419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methanesulfonylpiperidin-3-yl)ethan-1-amine
IUPAC Traditional name
2-(1-methanesulfonylpiperidin-3-yl)ethanamine
Synonyms
2-[1-(methylsulfonyl)piperidin-3-yl]ethanamine
CAS Number
1119449-94-3
MDL Number
MFCD12030779

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P -0.97155017  Molar Refractivity 52.6611 cm3
Polarizability 21.597046 Å3 Polar Surface Area 63.4 Å2
H Acceptors H Donor
LogD (pH = 5.5) -3.9862437  LogD (pH = 7.4) -3.3581283 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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