Basic information
- CAS
32889-48-8- Standard SMILES
CC(C)(C#N)Nc1nc(Cl)nc(NC2CC2)n1- InChIKey
WUZNHSBFPPFULJ-UHFFFAOYSA-N- Molecular formula
- C10H13ClN6
- Average molar mass
- 252.7 g/mol
- Monoisotopic mass
- 252.0890221
Names & identifiers
- Preferred name
- Procyazine
- IUPAC
- 2-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
- English name
- PROCYAZINE
- Molecular formula
- C10H13ClN6
- Molecular weight
- 252.7
Names & synonyms
PROCYAZINECycleProcyanazineProcyazine [ANSI]Cycle (herbicide)DTXSID1034844UNII-YLT2TR0PUHYLT2TR0PUHProcyazine [ANSI:ISO]BRN 0889633PROCYAZINE [ISO]CGA-18762
Show more names
CYCLE(R)Atrazine Impurity 13Procyazine Solution in Methanol, 100μg/mL2-(4-chloro-6-(cyclopropylamino)-s-triazin-2-ylamino)-2-methyl-propionitril2-(4-Chloro-6-(cyclopropylamino)-s-triazin-2-yl)amino-2-methylpropionitrile
DTXCID90148445-26-08-00472 (Beilstein Handbook Reference)Propionitrile, 2-(4-chloro-6-(cyclopropylamino)-s-triazin-2-ylamino)-2-methyl-Procyazine (ANSI)Procyazine (ANSI:ISO)2-(4-CHLORO-6-CYCLOPROPYLAMINO-1,3,5-TRIAZIN-2-YLAMINO)-2-METHYLPROPIONONITRILERefChem:176142WUZNHSBFPPFULJ-UHFFFAOYSA-N
Database identifiers
- CAS
32889-48-8- PubChem CID
- 36274
- DTXSID
DTXSID1034844- ChEMBL
CHEMBL3182756- UNII
- YLT2TR0PUH
- Nikkaji
- J20.383A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
LogP1.99
Collision Cross Section159.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1034844]
Physicochemical properties
- Melting point
- 170 °C · 170°C
- Boiling point
- 398.37 °C · 398.37°C (rough estimate)
- Density
- 1.2812 · 1.2812 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 2.87 · 2.87±0.10(Predicted)
- FDA UNII
- 2 TR0PUH · YLT2TR0PUH
- EPA Substance Registry System
- Procyanazine (32889-48-8)
Chemistry & industry
Suppliers10 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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