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848070-24-6 molecular structure
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[4-(hydroxymethyl)piperidin-4-yl]methanol

ChemBase ID: 308894
Molecular Formular: C7H15NO2
Molecular Mass: 145.1995
Monoisotopic Mass: 145.11027873
SMILES and InChIs

SMILES:
C1(CO)(CO)CCNCC1
Canonical SMILES:
OCC1(CO)CCNCC1
InChI:
InChI=1S/C7H15NO2/c9-5-7(6-10)1-3-8-4-2-7/h8-10H,1-6H2
InChIKey:
FMSBYPRMFTZLFH-UHFFFAOYSA-N

Cite this record

CBID:308894 http://www.chembase.cn/molecule-308894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(hydroxymethyl)piperidin-4-yl]methanol
IUPAC Traditional name
[4-(hydroxymethyl)piperidin-4-yl]methanol
Synonyms
4,4-piperidinediyldimethanol
CAS Number
848070-24-6
MDL Number
MFCD13183943

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4034795 external link Add to cart
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) -4.515174  LogD (pH = 7.4) -3.5860603 
Log P -1.3169885  Molar Refractivity 39.4085 cm3
Polarizability 15.66981 Å3 Polar Surface Area 52.49 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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