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CAS 5921-65-3 2,4-DIAMINO-6-NONYL-1,3,5-TRIAZINE molecular structure lightbox
CAS RN: 5921-65-3

2,4-DIAMINO-6-NONYL-1,3,5-TRIAZINE

  • Product code: SSC-167621
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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: 0.25g
  • Available purity: ≥95%
  • 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 5921-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

5921-65-3 / 6-nonyl-1,3,5-triazine-2,4-diamine

Standard CAS: 5921-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5921-65-3
Multi CAS
No
Molecular Formula
C12H23N5
Molecular Weight
237.340000
Exact Mass
237.195346
InChI
InChI=1S/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)
InChIKey
BDPPZSFVSOBOIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.35
TPSA
90.71

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
3.7
Consensus LogP
2.69
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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