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CAS 1416711-59-5 (4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 1416711-59-5

(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260609 1g In stock Shanghai Inquiry
Batchno.20260313 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250203 50mg In stock Shanghai, Chengdu Inquiry
Batchno.20260529 5g In stock Shanghai Inquiry
  • Product code: SSC-052176
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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 1416711-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1416711-59-5 / [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride

Standard CAS: 1416711-59-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1416711-59-5
Multi CAS
No
Molecular Formula
C9H10ClN5
Molecular Weight
223.660000
Exact Mass
223.062473
SMILES
C1=CC(=CC=C1CN)C2=NN=CN=N2.Cl
InChI
InChI=1S/C9H9N5.ClH/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9;/h1-4,6H,5,10H2;1H
InChIKey
FAAUXGMWUKVOPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.2
TPSA
77.58

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.51

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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