Home > Compound List > Compound details
849776-26-7 molecular structure
click picture or here to close

4-acetylpiperazine-1-carboximidamide hydroiodide

ChemBase ID: 77436
Molecular Formular: C7H15IN4O
Molecular Mass: 298.12467
Monoisotopic Mass: 298.02905912
SMILES and InChIs

SMILES:
N1(C(=O)C)CCN(C(=N)N)CC1.I
Canonical SMILES:
NC(=N)N1CCN(CC1)C(=O)C.I
InChI:
InChI=1S/C7H14N4O.HI/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H
InChIKey:
WGTZMPUYWAYGAF-UHFFFAOYSA-N

Cite this record

CBID:77436 http://www.chembase.cn/molecule-77436.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-acetylpiperazine-1-carboximidamide hydroiodide
IUPAC Traditional name
4-acetylpiperazine-1-carboximidamide hydroiodide
Synonyms
4-acetyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide
4-Acetylpiperazine-1-carboximidamide hydroiodide
CAS Number
849776-26-7
MDL Number
MFCD06797494
PubChem SID
162042308
PubChem CID
18525920

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18525920 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.0386815  LogD (pH = 7.4) -4.0373316 
Log P -1.6232396  Molar Refractivity 56.2494 cm3
Polarizability 17.148678 Å3 Polar Surface Area 73.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
229-230°C expand Show data source
Storage Warning
Harmful expand Show data source
Purity
97% 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