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1219804-19-9 molecular structure
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2-N-[(2,2,3,3-2H4)cyclopropyl]-1,3,5-triazine-2,4,6-triamine

ChemBase ID: 165316
Molecular Formular: C6H10N6
Molecular Mass: 166.1838
Monoisotopic Mass: 166.09669435
SMILES and InChIs

SMILES:
c1(nc(nc(n1)NC1CC1)N)N
Canonical SMILES:
Nc1nc(NC2CC2)nc(n1)N
InChI:
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
InChIKey:
LVQDKIWDGQRHTE-UHFFFAOYSA-N

Cite this record

CBID:165316 http://www.chembase.cn/molecule-165316.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-N-[(2,2,3,3-2H4)cyclopropyl]-1,3,5-triazine-2,4,6-triamine
IUPAC Traditional name
2-N-[(2,2,3,3-2H4)cyclopropyl]-1,3,5-triazine-2,4,6-triamine
Synonyms
N2-(Cyclopropyl-d4)-1,3,5-triazine-2,4,6-triamine
2,4-Diamino-6-(cyclopropylamino-d4)-s-triazine
CGA 72662-d4
Citation-d4
Cyclopropylmelamine-d4
Larvadex-d4
N-(Cyclopropyl-d4)-1,3,5-triazine-2,4,6-triamine
Neporex-d4
Patron-d4
Trigard-d4
Vetrazin-d4
Vetrazine-d4
Cyromazine-d4
CAS Number
1219804-19-9
PubChem SID
162259449
PubChem CID
71315143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C989302 external link Add to cart
PubChem 71315143 external link
Data Source Data ID Price
TRC
C989302 external link Add to cart Please log in.
Data Source Data ID
PubChem 71315143 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.864383  H Acceptors
H Donor LogD (pH = 5.5) -1.7363286 
LogD (pH = 7.4) -0.79316896  Log P 0.17258084 
Molar Refractivity 49.1654 cm3 Polarizability 15.928632 Å3
Polar Surface Area 102.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
201-203°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C989302 external link
Labelled Cyromazine (C989300). Insect growth regulator. Insecticide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hall, R.D., et al.: J. Econ. Entomol., 73, 564 (1980)
  • • Hart, R.J., et al.: Aust. Vet. J., 59, 104 (1980)
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PATENTS

PATENTS

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INTERNET

INTERNET

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