Home > Compound List > Compound details
124335-65-5 molecular structure
click picture or here to close

2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid

ChemBase ID: 11531
Molecular Formular: C8H16N2O3
Molecular Mass: 188.22424
Monoisotopic Mass: 188.11609238
SMILES and InChIs

SMILES:
N1(CC(=O)O)CCN(CC1)CCO
Canonical SMILES:
OCCN1CCN(CC1)CC(=O)O
InChI:
InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)7-8(12)13/h11H,1-7H2,(H,12,13)
InChIKey:
VCEKKKPFXABURR-UHFFFAOYSA-N

Cite this record

CBID:11531 http://www.chembase.cn/molecule-11531.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
IUPAC Traditional name
[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
Synonyms
[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid
CAS Number
124335-65-5
MDL Number
MFCD03444540
PubChem SID
160974838
PubChem CID
2759308

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
008486 external link Add to cart Please log in.
Data Source Data ID
PubChem 2759308 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.218087  H Acceptors
H Donor LogD (pH = 5.5) -3.8431177 
LogD (pH = 7.4) -3.9402897  Log P -3.83408 
Molar Refractivity 48.4151 cm3 Polarizability 18.973492 Å3
Polar Surface Area 64.01 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

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