Home > Compound List > Compound details
67004-64-2 molecular structure
click picture or here to close

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

ChemBase ID: 146204
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
CN1CCCC1CCO
Canonical SMILES:
OCCC1CCCN1C
InChI:
InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey:
FYVMBPXFPFAECB-UHFFFAOYSA-N

Cite this record

CBID:146204 http://www.chembase.cn/molecule-146204.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methylpyrrolidin-2-yl)ethan-1-ol
IUPAC Traditional name
2-(1-methylpyrrolidin-2-yl)ethanol
Synonyms
1-Methyl-2-pyrrolidine ethanol
2-(1-methylpyrrolidin-2-yl)ethan-1-ol
1-甲基-2-吡咯烷乙醇
CAS Number
67004-64-2
EC Number
266-538-5
MDL Number
MFCD00003174
PubChem SID
162240403
24848417
PubChem CID
93363

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 93363 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.924143  H Acceptors
H Donor LogD (pH = 5.5) -3.4164963 
LogD (pH = 7.4) -2.3761005  Log P 0.02559173 
Molar Refractivity 38.357 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)
Boiling Point
110-112 °C/14 mmHg(lit.) expand Show data source
Flash Point
183.2 °F expand Show data source
84 °C expand Show data source
Density
0.951 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4713(lit.) expand Show data source
Hydrophobicity(logP)
0.459 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318 expand Show data source
GHS Precautionary statements
P280-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
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C7H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 139513 external link
Packaging
5, 25 g in glass bottle

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