Home > Compound List > Compound details
92885-03-5 molecular structure
click picture or here to close

1-(2-aminoethyl)pyrrolidin-2-one hydrochloride

ChemBase ID: 15856
Molecular Formular: C6H13ClN2O
Molecular Mass: 164.63322
Monoisotopic Mass: 164.07164073
SMILES and InChIs

SMILES:
C1CC(=O)N(C1)CCN.Cl
Canonical SMILES:
NCCN1CCCC1=O.Cl
InChI:
InChI=1S/C6H12N2O.ClH/c7-3-5-8-4-1-2-6(8)9;/h1-5,7H2;1H
InChIKey:
MDISFSCSRZPYDO-UHFFFAOYSA-N

Cite this record

CBID:15856 http://www.chembase.cn/molecule-15856.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethyl)pyrrolidin-2-one hydrochloride
IUPAC Traditional name
1-(2-aminoethyl)pyrrolidin-2-one hydrochloride
Synonyms
1-(2-Aminoethyl)pyrrolidin-2-one hydrochloride
CAS Number
92885-03-5
MDL Number
MFCD01687429
PubChem SID
160979163
PubChem CID
3022039

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
016469 external link Add to cart Please log in.
Data Source Data ID
PubChem 3022039 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.093186  LogD (pH = 7.4) -2.8935287 
Log P -1.152917  Molar Refractivity 35.1044 cm3
Polarizability 13.794192 Å3 Polar Surface Area 46.33 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