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110484-18-9 molecular structure
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1-(2-aminoethyl)piperidin-4-ol dihydrochloride

ChemBase ID: 19053
Molecular Formular: C7H18Cl2N2O
Molecular Mass: 217.13662
Monoisotopic Mass: 216.07961857
SMILES and InChIs

SMILES:
N1(CCC(CC1)O)CCN.Cl.Cl
Canonical SMILES:
NCCN1CCC(CC1)O.Cl.Cl
InChI:
InChI=1S/C7H16N2O.2ClH/c8-3-6-9-4-1-7(10)2-5-9;;/h7,10H,1-6,8H2;2*1H
InChIKey:
PTVCQOBFIIVVNE-UHFFFAOYSA-N

Cite this record

CBID:19053 http://www.chembase.cn/molecule-19053.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethyl)piperidin-4-ol dihydrochloride
IUPAC Traditional name
1-(2-aminoethyl)piperidin-4-ol dihydrochloride
Synonyms
1-(2-Amino-ethyl)-piperidin-4-ol dihydrochloride
CAS Number
110484-18-9
MDL Number
MFCD10687123
PubChem SID
160982360
PubChem CID
14099886

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 14099886 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.179288  H Acceptors
H Donor LogD (pH = 5.5) -5.5713663 
LogD (pH = 7.4) -3.4305131  Log P -1.2887547 
Molar Refractivity 41.6622 cm3 Polarizability 16.56564 Å3
Polar Surface Area 49.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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