Home > Compound List > Compound details
3040-44-6 molecular structure
click picture or here to close

2-(piperidin-1-yl)ethan-1-ol

ChemBase ID: 150586
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
C1CCN(CC1)CCO
Canonical SMILES:
OCCN1CCCCC1
InChI:
InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
InChIKey:
KZTWONRVIPPDKH-UHFFFAOYSA-N

Cite this record

CBID:150586 http://www.chembase.cn/molecule-150586.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-1-yl)ethan-1-ol
IUPAC Traditional name
1-piperidineethanol
Synonyms
1-Piperidineethanol
2-Piperidinoethanol
1-(2-Hydroxyethyl)piperidine
2-(Piperidin-1-yl)ethanol
2-Piperidine ethanol
β-Piperidinoethanol
1-(2-Hydroxyethyl)piperidine
2-(1-Piperidino)ethanol
2-(1-Piperidinyl)ethanol
2-(N-Piperidino)ethanol
2-(Piperid-1-yl)ethanol
N-Piperidineethanol
N-Piperidinoethanol
NSC 3460
1-Piperidineethanol
1-哌啶乙醇
N-哌啶乙醇
N-羟乙基哌啶
1-(2-羟乙基)哌啶
CAS Number
3040-44-6
1484-84-0
EC Number
221-244-6
MDL Number
MFCD00006512
Beilstein Number
103390
PubChem SID
24847261
162244747
PubChem CID
18232

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.593262  H Acceptors
H Donor LogD (pH = 5.5) -3.0201573 
LogD (pH = 7.4) -1.6934307  Log P 0.3504336 
Molar Refractivity 38.4224 cm3 Polarizability 15.038956 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethanol expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Oil expand Show data source
Melting Point
16°C expand Show data source
Boiling Point
199-202 °C(lit.) expand Show data source
199-202°C expand Show data source
70-75°C@10mmHg. expand Show data source
Flash Point
156.2 °F expand Show data source
69 °C expand Show data source
83°C(181°F) expand Show data source
Density
0.973 g/mL at 25 °C(lit.) expand Show data source
0.977 expand Show data source
Refractive Index
1.4804 expand Show data source
n20/D 1.4804(lit.) expand Show data source
n20/D 1.481 expand Show data source
Storage Condition
Refrigerator expand Show data source
RTECS
TM8052000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2735 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
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
21/22-34 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H311-H314-H318-H227 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
ReagentPlus® expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C7H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 116068 external link
Packaging
100, 500 g in glass bottle
Application
Counter-ion used for investigations of skin permeation of flurbiprofen1Catalyst used for enantioselective synthesis2Amine quencher used during synthesis of photoacid generators for ArF lithography3Adsorbent for capture and release of pressurized carbon dioxide for greenhouse gas control4
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle