Home > Compound List > Compound details
2165-19-7 molecular structure
click picture or here to close

1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)guanidine

ChemBase ID: 169806
Molecular Formular: C10H13N3O2
Molecular Mass: 207.22912
Monoisotopic Mass: 207.10077667
SMILES and InChIs

SMILES:
c1ccc2c(c1)OC(CO2)CNC(=N)N
Canonical SMILES:
NC(=N)NCC1COc2c(O1)cccc2
InChI:
InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
InChIKey:
HIUVKVDQFXDZHU-UHFFFAOYSA-N

Cite this record

CBID:169806 http://www.chembase.cn/molecule-169806.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)guanidine
IUPAC Traditional name
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)guanidine
Synonyms
(1,4-Benzodioxan-2-ylmethyl)guanidine
2-(Guanidinomethyl)-1,4-benzodioxan
Guanoxane
N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]guanidine
Guanoxan
CAS Number
2165-19-7
PubChem SID
162263938
PubChem CID
16564

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC G839500 external link Add to cart
PubChem 16564 external link
Data Source Data ID Price
TRC
G839500 external link Add to cart Please log in.
Data Source Data ID
PubChem 16564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0000317  LogD (pH = 7.4) -1.9971994 
Log P 0.41539085  Molar Refractivity 65.35 cm3
Polarizability 21.338055 Å3 Polar Surface Area 80.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G839500 external link
Guanoxan is a sympatholytic drug related to Guanethidine (G815000). Guanoxan is used in the treatment of hypertension.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jack, D.B. et al.: Xenobiotica, 2, 35 (1972)
  • • Jack, D.B. et al.: J. Pharm. Pharmacol., 23, 222S (1972)
  • • Bueno, J.R. et al.: J. Pharm. Pharmacol., 20, 396 (1972)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle