Home > Compound List > Compound details
86239-29-4 molecular structure
click picture or here to close

1-hydroxycyclohexane-1-carboximidamide hydrochloride

ChemBase ID: 799786
Molecular Formular: C7H15ClN2O
Molecular Mass: 178.6598
Monoisotopic Mass: 178.08729079
SMILES and InChIs

SMILES:
Cl.C1(CCCCC1)(C(=N)N)O
Canonical SMILES:
NC(=N)C1(O)CCCCC1.Cl
InChI:
InChI=1S/C7H14N2O.ClH/c8-6(9)7(10)4-2-1-3-5-7;/h10H,1-5H2,(H3,8,9);1H
InChIKey:
FCNJOWLTYRKFGW-UHFFFAOYSA-N

Cite this record

CBID:799786 http://www.chembase.cn/molecule-799786.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-hydroxycyclohexane-1-carboximidamide hydrochloride
IUPAC Traditional name
1-hydroxycyclohexane-1-carboximidamide hydrochloride
Synonyms
1-hydroxycyclohexanecarboximidamide hydrochloride
CAS Number
86239-29-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14818 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14818 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.474876  H Acceptors
H Donor LogD (pH = 5.5) -2.160056 
LogD (pH = 7.4) -1.8552752  Log P 0.24970949 
Molar Refractivity 49.8162 cm3 Polarizability 15.383713 Å3
Polar Surface Area 70.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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