CAS RN: 21725-46-2

Cyanazine

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5 package records2 with current stock5 grade groups
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Batchno.20250615 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
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Batchno.20250914 1.2ml Out of stock 8-10 business days Inquiry
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Batchno.20260515 1.2ml Out of stock 8-10 business days Inquiry
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Batchno.20251130 1.2ml Out of stock 8-10 business days Inquiry
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Batchno.20250920 250mg In stock Inquiry
  • Product code: LINC820849
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21725-46-2 / 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

Standard CAS: 21725-46-2 Multi CAS: No

Basic Information

CAS
21725-46-2
Multi CAS
No
Molecular Formula
C9H13ClN6
Molecular Weight
240.690000
Exact Mass
240.089022
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
MZZBPDKVEFVLFF-UHFFFAOYSA-N

Physical Properties

Melting Point
167.5-169 °C 168 °C
Density
1.29 kg/l @ 20 °C Bulk density of technical material: Fluffed 0.35 g/cc; packed 0.45 g/cc 1.26 g/cm³
Physical Description
Cyanazine appears as colorless crystals. Non corrosive when dry. Used as a selective systemic herbicide. White solid; [Merck Index] Colorless solid; [CAMEO] WHITE CRYSTALLINE POWDER.
Appearance
White crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
62.32
TPSA
86.52

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
2.2
Consensus LogP
1.78
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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