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CAS 116469-02-4 1,4-Phenylenediamine Dihydriodide molecular structure lightbox
CAS RN: 116469-02-4

1,4-Phenylenediamine Dihydriodide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-016490
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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 116469-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

116469-02-4 / benzene-1,4-diamine;dihydroiodide

1,4-Phenylenediamine Dihydriodide | RefChem:417018 | 835-740-0

Standard CAS: 116469-02-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116469-02-4
Multi CAS
Yes
Molecular Formula
C6H10I2N2
Molecular Weight
363.970000
Exact Mass
363.893340
SMILES
C1=CC(=CC=C1N)N.I.I
InChI
InChI=1S/C6H8N2.2HI/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
InChIKey
RYYSZNVPBLKLRS-UHFFFAOYSA-N
Synonyms
1,4-Phenylenediamine Dihydriodide RefChem:417018 835-740-0 1,4-benzenediamine dihydriodide benzene-1,4-diamine;dihydroiodide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.1
TPSA
52.04

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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