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64051-79-2 molecular structure
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piperidin-3-ol hydrochloride

ChemBase ID: 63299
Molecular Formular: C5H12ClNO
Molecular Mass: 137.60788
Monoisotopic Mass: 137.06074169
SMILES and InChIs

SMILES:
C1(O)CNCCC1.Cl
Canonical SMILES:
OC1CCCNC1.Cl
InChI:
InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
InChIKey:
VLECDMDGMKPUSK-UHFFFAOYSA-N

Cite this record

CBID:63299 http://www.chembase.cn/molecule-63299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidin-3-ol hydrochloride
IUPAC Traditional name
piperidin-3-ol hydrochloride
Synonyms
3-Hydroxypiperidine.HCl
3-Hydroxypiperidine hydrochloride
3-Piperidinol hydrochloride
3-Hydroxypiperidine hydrochloride
piperidin-3-ol hydrochloride
3-哌啶醇 盐酸盐
3-羟基哌啶 盐酸盐
CAS Number
64051-79-2
107-10-8
EC Number
264-644-6
MDL Number
MFCD00012772
PubChem SID
162029038
24850482
PubChem CID
2723962

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.895534  H Acceptors
H Donor LogD (pH = 5.5) -3.6185102 
LogD (pH = 7.4) -2.7142177  Log P -0.41741595 
Molar Refractivity 28.1969 cm3 Polarizability 11.356206 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.0 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H11NO · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05213763 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 174416 external link
Packaging
5, 100 g in glass bottle
Application
Reactant for synthesis of: Istaroxime analogues as Na+, K+ - ATPase inhibitors1 Nitric oxide formation inhibitors2 Selective CC chemokine receptor-3 antagonists3 Oxygenated carbolines4 α-lithioallyl amides5Reactant for highly chemoselective reductive amination of carbonyl compounds6

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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