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CAS 1197159-91-3 4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline molecular structure lightbox
CAS RN: 1197159-91-3

4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)aniline

Product Availability

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9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 200mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251025 1g In stock Inquiry
Batchno.20260408 250mg In stock Inquiry
Batchno.20260120 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251113 10g In stock Shanghai Inquiry
Batchno.20260119 1g In stock Shanghai Inquiry
Batchno.20260510 250mg In stock Shanghai Inquiry
Batchno.20260428 25g In stock Shanghai Inquiry
Batchno.20260216 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-020402
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1197159-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1197159-91-3 / 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline

4-(4,6-dimorpholino-1,3,5-triazin-2-yl)aniline | RefChem:513508 | 836-092-1

Standard CAS: 1197159-91-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1197159-91-3
Multi CAS
No
Molecular Formula
C17H22N6O2
Molecular Weight
342.400000
Exact Mass
342.180424
SMILES
C1COCCN1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)N4CCOCC4
InChI
InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
InChIKey
OGMSQGCPVLGNIG-UHFFFAOYSA-N
Synonyms
4-(4,6-dimorpholino-1,3,5-triazin-2-yl)aniline RefChem:513508 836-092-1 MFCD27921193 Benzenamine, 4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
95.74
TPSA
89.63

LogP / Solubility

WLOGP
0.79
MLOGP
0.72
XLogP3
1.1
Consensus LogP
0.87
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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