Home > Compound List > Compound details
60-02-6 molecular structure
click picture or here to close

1-[2-(azocan-1-yl)ethyl]guanidine

ChemBase ID: 169788
Molecular Formular: C10H22N4
Molecular Mass: 198.30848
Monoisotopic Mass: 198.18444672
SMILES and InChIs

SMILES:
C1CCCCCN(C1)CCNC(=N)N
Canonical SMILES:
NC(=N)NCCN1CCCCCCC1
InChI:
InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
InChIKey:
ACGDKVXYNVEAGU-UHFFFAOYSA-N

Cite this record

CBID:169788 http://www.chembase.cn/molecule-169788.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(azocan-1-yl)ethyl]guanidine
IUPAC Traditional name
guanethidine
Synonyms
1-[2-(azocan-1-yl)ethyl]guanidine
N-[2-(Hexahydro-1(2H)-azocinyl)ethyl]guanidine Sulfate
Oktadin
Oktatenzin
Guanetidin Sulfate
Guethine
Iporal
Ismelin sulfate
Isobarin
NSC 29863
Octadin
Octadine
Octatensin
Sanotensin
Su 5864
Guanethidine Hemisulfate
CAS Number
60-02-6
MDL Number
MFCD00242835
PubChem SID
162263920
PubChem CID
3518

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3518 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.482514  LogD (pH = 7.4) -2.7277596 
Log P 0.79891837  Molar Refractivity 69.9965 cm3
Polarizability 22.94415 Å3 Polar Surface Area 65.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
223-225°C expand Show data source
Hydrophobicity(logP)
1.354 expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G815000 external link
Antihypertensive; antiglaucoma

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Al-Shora, H., et al.: Int. J. Pharm., 47, 209 (1988)
  • • Golander, Y., et al.: J. Pharm. Sci., 77, 902 (1988)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle