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Heptazine

HCID 15950
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1912-25-0
Standard SMILES
CCN(CC)c1nc(Cl)nc(NC(C)C)n1
InChIKey
OWYWGLHRNBIFJP-UHFFFAOYSA-N
Molecular formula
C10H18ClN5
Average molar mass
243.74 g/mol
Monoisotopic mass
243.1250733

Overview

Ipazine is a member of 1,3,5-triazines.

Names & identifiers

Preferred name
Heptazine
IUPAC
6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
English name
2-(N,N-diethylamino)-4-(-N-isopropylamino)-6-chloro-1,3,5-triazine
Molecular formula
C10H18ClN5
Molecular weight
243.74

Names & synonyms

IPAZINEHeptazine1912-25-0GesabalIsodiazine2-Chloro-4-(diethylamino)-6-(isopropylamino)-s-triazines-Triazine, 2-chloro-4-(diethylamino)-6-(isopropylamino)-WSP2G0YL9N1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-diethyl-N'-(1-methylethyl)-NSC-163047DTXSID8042056GEIGY-30,031
Show more names
2-Chloro-4-diethylamino-6-isopropylamino-1,3,5-triazine2-(N,N-diethylamino)-4-(-N-isopropylamino)-6-chloro-1,3,5-triazine1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2-diethyl-N4-(1-methylethyl)-
G-30031RefChem:148625DTXCID6022056GeigyIpazine [ISO]NSC 163047G 300316-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Database identifiers

CAS
1912-25-0
PubChem CID
15950
DTXSID
DTXSID8042056
ChEBI

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
53.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
198

Experimental & physicochemical properties

LogP3.94

Physicochemical properties

Melting point
73 · 73-75 °C
Boiling point
387.03 °C · 387.03°C (rough estimate)
Density
1.1767 · 1.1767 (rough estimate)
refractive index
1.611 · 1.6110 (estimate)
pka
2.57 · 2.57±0.10(Predicted)
Water Solubility
40 mg/L · 40mg/L(21 ºC)
FDA UNII
2 G0YL9N · WSP2G0YL9N
EPA Substance Registry System
Ipazine (1912-25-0)

Chemistry & industry

Applications

UsesAgricultural chemical.

UsesIpazine is often used in the composition of herbicides for weed control has also recently been used in a method for promoting ozone to rapidly produce hydroxyl free radical by using thiosulfate.

Suppliers3 total

艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

Additional notes

DefinitionChEBI: Ipazine is a member of 1,3,5-triazines.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
CHEBI:82225
UNII
WSP2G0YL9N
Nikkaji
J9.536B