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CAS 912761-28-5 (2-phenyl-2H-1,2,3-triazol-4-yl)methylamine molecular structure lightbox
CAS RN: 912761-28-5

(2-phenyl-2H-1,2,3-triazol-4-yl)methylamine

  • Product code: SSC-204196
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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: 1g
  • 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 912761-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

912761-28-5 / (2-phenyltriazol-4-yl)methanamine

Standard CAS: 912761-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
912761-28-5
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
InChI
InChI=1S/C9H10N4/c10-6-8-7-11-13(12-8)9-4-2-1-3-5-9/h1-5,7H,6,10H2
InChIKey
WDTYDDGWHKTJJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.25
TPSA
56.73

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.8
Consensus LogP
0.72
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.27

Drug-likeness / Medicinal Chemistry

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

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