Home > Compound List > Compound details
23304-08-7 molecular structure
click picture or here to close

(2H12)-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane

ChemBase ID: 169955
Molecular Formular: C6H12N4
Molecular Mass: 140.18628
Monoisotopic Mass: 140.1061964
SMILES and InChIs

SMILES:
N12CN3CN(C1)CN(C2)C3
Canonical SMILES:
C1N2CN3CN1CN(C2)C3
InChI:
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKey:
VKYKSIONXSXAKP-UHFFFAOYSA-N

Cite this record

CBID:169955 http://www.chembase.cn/molecule-169955.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H12)-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane
IUPAC Traditional name
(2H12)-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane
Synonyms
1,3,5,7-Tetraazatricyclodecane-d12
Aceto HMT-d12
Aminoform-d12
Ammoform-d12
Antihydral-d12
Cystogen-d12
Duirexol-d12
Ekagom H-d12
Formamine-d12
Formin-d12
HMTA-d12
Heksa K-d12
Herax UTS-d12
Heterin-d12
Hexa-d12
Hexa B-d12
Hexaform-d12
Hexamethylenamine-d12
Hexamine-d12
Hexasan-d12
Methenamide-d12
Methenamin-d12
Methenamine-d12
NSC 26346-d12
Nocceler H-d12
Nocceler H-PO-d12
Preparation AF-d12
Sanceler H-d12
Sanceler HT-d12
Thixon 715B-d12
Uramin-d12
Uratrine-d12
Uritone-d12
Urodeine-d12
Urotropin-d12
Urotropine-d12
Vulkacit H-d12
Vulkacit H 30-d12
Xametrin-d12
Hexamethylenetetramine-d12
CAS Number
23304-08-7
PubChem SID
162264087
PubChem CID
12224935

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H294222 external link Add to cart
PubChem 12224935 external link
Data Source Data ID Price
TRC
H294222 external link Add to cart Please log in.
Data Source Data ID
PubChem 12224935 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.14668383  LogD (pH = 7.4) 0.37930003 
Log P 0.39213386  Molar Refractivity 36.9954 cm3
Polarizability 15.701157 Å3 Polar Surface Area 12.96 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 - H294222 external link
Labelled Methenamine (H294220). Used in the treatment of urinary track infection.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Day, G.M., et al.: J. Physical Chem., 107, 10919 (2003)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle