[email protected]
CAS 139-40-2 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine molecular structure lightbox
CAS RN: 139-40-2

2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 1.2ml Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 1.2ml Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS139-40-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

139-40-2 / 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

Standard CAS: 139-40-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-40-2
Multi CAS
No
Molecular Formula
C9H16ClN5
Molecular Weight
229.710000
Exact Mass
229.109423
SMILES
CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
InChI
InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKey
WJNRPILHGGKWCK-UHFFFAOYSA-N

Physical Properties

Melting Point
229.7 °C 213 °C
Density
1.162 g/cu cm at 20 °C 1.162 g/cm³
Physical Description
Colorless solid; [ICSC] COLOURLESS CRYSTALLINE POWDER.
Appearance
Colorless powder Crystals
State
Solid
Storage Conditions
Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. Do not contaminate water, food or feed by storage or disposal. ... Store product in original container only, away from other pesticides, fertilizer, food for feed. /Propazine 4L/ Store in cool, dry, well-ventilated area out of reach of children and animals.

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
62.35
TPSA
62.73

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.9
Consensus LogP
2.33
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H351: Suspected of causing cancer [Warning Carcinogenicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P391, P405, and P501
DOT ID (UN/NA Number)
2763
Hazard Class/Division
9
Packing Group
III

Customers Also Viewed

Get In Touch

Contact Us